USER MOD reduce.3.24.130724 H: found=0, std=0, add=1012, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1013 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 73 ASN : amide:sc= -0.947 X(o=-0.95,f=-0.87) USER MOD Set 2.1: A 14 HIS : no HE2:sc= -1.14! C(o=-1.2!,f=-5.8!) USER MOD Set 2.2: A 107 ASN : amide:sc= -0.084 K(o=-1.2,f=-2.8) USER MOD Set 3.1: A 11 ASN : amide:sc= 1.01 K(o=1.8,f=-4.2!) USER MOD Set 3.2: A 106 LYS NZ :NH3+ -172:sc= 0.834 (180deg=0.784) USER MOD Set 4.1: A 3 LYS NZ :NH3+ -169:sc= 1.04 (180deg=-0.0084) USER MOD Set 4.2: A 38 GLN : amide:sc= -0.578 K(o=0.46,f=-11!) USER MOD Single : A 5 LYS NZ :NH3+ -179:sc= -0.226 (180deg=-0.231) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 123:sc= 1.4 USER MOD Single : A 10 SER OG : rot -122:sc= 1.28 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 78:sc= 0.0013 USER MOD Single : A 31 SER OG : rot 180:sc= 0.315 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.00069) USER MOD Single : A 36 GLN :FLIP amide:sc= -1.94 F(o=-2.8,f=-1.9) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 9:sc= 0.00174 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 17:sc= 1.26 USER MOD Single : A 52 THR OG1 : rot 88:sc= -0.774! USER MOD Single : A 54 THR OG1 : rot -145:sc= 1.22 USER MOD Single : A 56 GLN :FLIP amide:sc= -7.37! C(o=-13!,f=-7.4!) USER MOD Single : A 60 MET CE :methyl -169:sc= -1.41 (180deg=-1.87) USER MOD Single : A 62 THR OG1 : rot 77:sc= 1.22 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -152:sc= 0.786 USER MOD Single : A 70 GLN : amide:sc= -0.0123 K(o=-0.012,f=-0.99) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 175:sc= 1.26 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.0616 X(o=0.062,f=-0.32) USER MOD Single : A 89 THR OG1 : rot -160:sc= -0.242 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 173:sc= 1.28 USER MOD Single : A 93 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000468) USER MOD Single : A 94 LYS NZ :NH3+ 156:sc= 0.745 (180deg=0.318) USER MOD Single : A 95 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-5.9!) USER MOD Single : A 98 LYS NZ :NH3+ -137:sc= 0.548 (180deg=-0.187) USER MOD Single : A 99 ASN :FLIP amide:sc= -0.0445 F(o=-1.5!,f=-0.045) USER MOD Single : A 105 LYS NZ :NH3+ 159:sc= -0.051 (180deg=-0.409) USER MOD Single : A 109 SER OG : rot 32:sc= 0.263 USER MOD Single : A 110 CYS SG : rot 41:sc= -3.92! USER MOD Single : A 111 LYS NZ :NH3+ -168:sc= -0.0132 (180deg=-0.177) USER MOD Single : A 116 THR OG1 : rot -114:sc= 1 USER MOD Single : A 117 HIS : no HD1:sc= -1.01 X(o=-1,f=-1.3) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.284 K(o=-0.28,f=-3.8!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N LYS A 3 11.739 -4.125 9.024 1.00 0.93 N ATOM 47 CA LYS A 3 11.188 -3.080 9.860 1.00 0.96 C ATOM 48 C LYS A 3 10.224 -2.277 8.995 1.00 0.78 C ATOM 49 O LYS A 3 9.039 -2.171 9.309 1.00 1.17 O ATOM 50 CB LYS A 3 12.284 -2.201 10.486 1.00 1.91 C ATOM 51 CG LYS A 3 11.771 -1.214 11.523 1.00 2.62 C ATOM 52 CD LYS A 3 11.306 -1.918 12.788 1.00 3.43 C ATOM 53 CE LYS A 3 10.931 -0.920 13.874 1.00 4.25 C ATOM 54 NZ LYS A 3 9.720 -0.133 13.527 1.00 4.81 N ATOM 0 HA LYS A 3 10.658 -3.513 10.709 1.00 0.96 H new ATOM 0 HB2 LYS A 3 13.030 -2.845 10.951 1.00 1.91 H new ATOM 0 HB3 LYS A 3 12.789 -1.649 9.693 1.00 1.91 H new ATOM 0 HG2 LYS A 3 12.560 -0.504 11.771 1.00 2.62 H new ATOM 0 HG3 LYS A 3 10.946 -0.640 11.102 1.00 2.62 H new ATOM 0 HD2 LYS A 3 10.447 -2.549 12.560 1.00 3.43 H new ATOM 0 HD3 LYS A 3 12.096 -2.574 13.152 1.00 3.43 H new ATOM 0 HE2 LYS A 3 10.759 -1.453 14.809 1.00 4.25 H new ATOM 0 HE3 LYS A 3 11.766 -0.240 14.043 1.00 4.25 H new ATOM 0 HZ1 LYS A 3 9.612 0.653 14.200 1.00 4.81 H new ATOM 0 HZ2 LYS A 3 9.817 0.247 12.564 1.00 4.81 H new ATOM 0 HZ3 LYS A 3 8.882 -0.747 13.574 1.00 4.81 H new ATOM 68 N PRO A 4 10.715 -1.718 7.866 1.00 0.45 N ATOM 69 CA PRO A 4 9.861 -1.180 6.830 1.00 0.41 C ATOM 70 C PRO A 4 9.515 -2.253 5.802 1.00 0.39 C ATOM 71 O PRO A 4 10.368 -3.061 5.416 1.00 0.53 O ATOM 72 CB PRO A 4 10.713 -0.077 6.189 1.00 0.59 C ATOM 73 CG PRO A 4 12.097 -0.226 6.748 1.00 0.72 C ATOM 74 CD PRO A 4 12.125 -1.520 7.509 1.00 0.80 C ATOM 0 HA PRO A 4 8.911 -0.812 7.218 1.00 0.41 H new ATOM 0 HB2 PRO A 4 10.721 -0.175 5.103 1.00 0.59 H new ATOM 0 HB3 PRO A 4 10.307 0.908 6.417 1.00 0.59 H new ATOM 0 HG2 PRO A 4 12.837 -0.233 5.948 1.00 0.72 H new ATOM 0 HG3 PRO A 4 12.341 0.611 7.402 1.00 0.72 H new ATOM 0 HD2 PRO A 4 12.507 -2.339 6.900 1.00 0.80 H new ATOM 0 HD3 PRO A 4 12.761 -1.456 8.392 1.00 0.80 H new ATOM 82 N LYS A 5 8.268 -2.273 5.377 1.00 0.38 N ATOM 83 CA LYS A 5 7.820 -3.234 4.389 1.00 0.38 C ATOM 84 C LYS A 5 7.866 -2.631 2.989 1.00 0.35 C ATOM 85 O LYS A 5 7.980 -1.418 2.815 1.00 0.40 O ATOM 86 CB LYS A 5 6.396 -3.722 4.695 1.00 0.44 C ATOM 87 CG LYS A 5 5.295 -2.826 4.141 1.00 1.16 C ATOM 88 CD LYS A 5 3.933 -3.483 4.268 1.00 1.64 C ATOM 89 CE LYS A 5 2.850 -2.697 3.545 1.00 2.57 C ATOM 90 NZ LYS A 5 3.045 -2.701 2.070 1.00 3.33 N ATOM 0 H LYS A 5 7.544 -1.632 5.702 1.00 0.38 H new ATOM 0 HA LYS A 5 8.497 -4.087 4.432 1.00 0.38 H new ATOM 0 HB2 LYS A 5 6.272 -4.725 4.287 1.00 0.44 H new ATOM 0 HB3 LYS A 5 6.275 -3.801 5.775 1.00 0.44 H new ATOM 0 HG2 LYS A 5 5.294 -1.876 4.675 1.00 1.16 H new ATOM 0 HG3 LYS A 5 5.497 -2.603 3.093 1.00 1.16 H new ATOM 0 HD2 LYS A 5 3.979 -4.494 3.862 1.00 1.64 H new ATOM 0 HD3 LYS A 5 3.672 -3.574 5.322 1.00 1.64 H new ATOM 0 HE2 LYS A 5 1.875 -3.122 3.782 1.00 2.57 H new ATOM 0 HE3 LYS A 5 2.846 -1.669 3.907 1.00 2.57 H new ATOM 0 HZ1 LYS A 5 2.294 -2.140 1.619 1.00 3.33 H new ATOM 0 HZ2 LYS A 5 3.971 -2.287 1.841 1.00 3.33 H new ATOM 0 HZ3 LYS A 5 3.006 -3.679 1.717 1.00 3.33 H new ATOM 104 N LEU A 6 7.759 -3.511 2.017 1.00 0.35 N ATOM 105 CA LEU A 6 7.738 -3.165 0.602 1.00 0.37 C ATOM 106 C LEU A 6 6.322 -3.268 0.077 1.00 0.37 C ATOM 107 O LEU A 6 5.503 -4.028 0.618 1.00 0.46 O ATOM 108 CB LEU A 6 8.624 -4.116 -0.221 1.00 0.51 C ATOM 109 CG LEU A 6 8.391 -4.051 -1.736 1.00 0.64 C ATOM 110 CD1 LEU A 6 9.128 -2.874 -2.338 1.00 1.24 C ATOM 111 CD2 LEU A 6 8.776 -5.354 -2.422 1.00 1.49 C ATOM 0 H LEU A 6 7.682 -4.514 2.188 1.00 0.35 H new ATOM 0 HA LEU A 6 8.118 -2.148 0.503 1.00 0.37 H new ATOM 0 HB2 LEU A 6 9.670 -3.886 -0.017 1.00 0.51 H new ATOM 0 HB3 LEU A 6 8.450 -5.138 0.117 1.00 0.51 H new ATOM 0 HG LEU A 6 7.324 -3.906 -1.902 1.00 0.64 H new ATOM 0 HD11 LEU A 6 8.950 -2.845 -3.413 1.00 1.24 H new ATOM 0 HD12 LEU A 6 8.769 -1.950 -1.886 1.00 1.24 H new ATOM 0 HD13 LEU A 6 10.196 -2.979 -2.149 1.00 1.24 H new ATOM 0 HD21 LEU A 6 8.596 -5.268 -3.494 1.00 1.49 H new ATOM 0 HD22 LEU A 6 9.832 -5.559 -2.246 1.00 1.49 H new ATOM 0 HD23 LEU A 6 8.176 -6.169 -2.018 1.00 1.49 H new ATOM 123 N LEU A 7 6.027 -2.505 -0.959 1.00 0.36 N ATOM 124 CA LEU A 7 4.776 -2.676 -1.663 1.00 0.39 C ATOM 125 C LEU A 7 4.958 -3.624 -2.822 1.00 0.41 C ATOM 126 O LEU A 7 5.562 -3.300 -3.849 1.00 0.58 O ATOM 127 CB LEU A 7 4.208 -1.351 -2.178 1.00 0.55 C ATOM 128 CG LEU A 7 2.827 -1.466 -2.857 1.00 0.59 C ATOM 129 CD1 LEU A 7 2.928 -1.886 -4.327 1.00 1.53 C ATOM 130 CD2 LEU A 7 1.960 -2.447 -2.071 1.00 1.25 C ATOM 0 H LEU A 7 6.631 -1.770 -1.326 1.00 0.36 H new ATOM 0 HA LEU A 7 4.064 -3.087 -0.948 1.00 0.39 H new ATOM 0 HB2 LEU A 7 4.131 -0.655 -1.343 1.00 0.55 H new ATOM 0 HB3 LEU A 7 4.913 -0.920 -2.889 1.00 0.55 H new ATOM 0 HG LEU A 7 2.366 -0.478 -2.851 1.00 0.59 H new ATOM 0 HD11 LEU A 7 1.928 -1.952 -4.756 1.00 1.53 H new ATOM 0 HD12 LEU A 7 3.511 -1.148 -4.877 1.00 1.53 H new ATOM 0 HD13 LEU A 7 3.417 -2.858 -4.395 1.00 1.53 H new ATOM 0 HD21 LEU A 7 0.983 -2.531 -2.547 1.00 1.25 H new ATOM 0 HD22 LEU A 7 2.441 -3.425 -2.054 1.00 1.25 H new ATOM 0 HD23 LEU A 7 1.836 -2.086 -1.050 1.00 1.25 H new ATOM 142 N TYR A 8 4.441 -4.804 -2.618 1.00 0.50 N ATOM 143 CA TYR A 8 4.238 -5.754 -3.685 1.00 0.71 C ATOM 144 C TYR A 8 2.776 -5.680 -4.138 1.00 0.44 C ATOM 145 O TYR A 8 1.864 -5.745 -3.346 1.00 0.73 O ATOM 146 CB TYR A 8 4.591 -7.173 -3.226 1.00 1.29 C ATOM 147 CG TYR A 8 4.750 -8.165 -4.358 1.00 1.60 C ATOM 148 CD1 TYR A 8 3.646 -8.768 -4.949 1.00 1.84 C ATOM 149 CD2 TYR A 8 6.011 -8.503 -4.831 1.00 2.21 C ATOM 150 CE1 TYR A 8 3.795 -9.678 -5.978 1.00 2.43 C ATOM 151 CE2 TYR A 8 6.167 -9.411 -5.861 1.00 2.93 C ATOM 152 CZ TYR A 8 5.057 -9.994 -6.430 1.00 2.96 C ATOM 153 OH TYR A 8 5.209 -10.899 -7.452 1.00 3.74 O ATOM 0 H TYR A 8 4.145 -5.139 -1.701 1.00 0.50 H new ATOM 0 HA TYR A 8 4.893 -5.508 -4.520 1.00 0.71 H new ATOM 0 HB2 TYR A 8 5.518 -7.139 -2.654 1.00 1.29 H new ATOM 0 HB3 TYR A 8 3.813 -7.529 -2.551 1.00 1.29 H new ATOM 0 HD1 TYR A 8 2.655 -8.521 -4.598 1.00 1.84 H new ATOM 0 HD2 TYR A 8 6.884 -8.049 -4.387 1.00 2.21 H new ATOM 0 HE1 TYR A 8 2.927 -10.139 -6.425 1.00 2.43 H new ATOM 0 HE2 TYR A 8 7.155 -9.662 -6.218 1.00 2.93 H new ATOM 0 HH TYR A 8 6.162 -11.010 -7.652 1.00 3.74 H new ATOM 163 N CYS A 9 2.613 -5.421 -5.402 1.00 0.63 N ATOM 164 CA CYS A 9 1.341 -5.418 -6.119 1.00 0.75 C ATOM 165 C CYS A 9 1.488 -6.417 -7.248 1.00 1.05 C ATOM 166 O CYS A 9 2.623 -6.733 -7.610 1.00 1.99 O ATOM 167 CB CYS A 9 0.944 -4.031 -6.617 1.00 1.57 C ATOM 168 SG CYS A 9 -0.548 -3.999 -7.636 1.00 2.64 S ATOM 0 H CYS A 9 3.400 -5.191 -6.008 1.00 0.63 H new ATOM 0 HA CYS A 9 0.527 -5.702 -5.452 1.00 0.75 H new ATOM 0 HB2 CYS A 9 0.795 -3.379 -5.756 1.00 1.57 H new ATOM 0 HB3 CYS A 9 1.771 -3.615 -7.193 1.00 1.57 H new ATOM 0 HG CYS A 9 -1.422 -3.200 -7.100 1.00 2.64 H new ATOM 174 N SER A 10 0.411 -6.976 -7.770 1.00 0.83 N ATOM 175 CA SER A 10 0.510 -8.220 -8.504 1.00 1.29 C ATOM 176 C SER A 10 1.248 -7.935 -9.798 1.00 0.84 C ATOM 177 O SER A 10 1.178 -6.834 -10.357 1.00 1.34 O ATOM 178 CB SER A 10 -0.885 -8.786 -8.774 1.00 2.36 C ATOM 179 OG SER A 10 -1.758 -7.776 -9.254 1.00 3.16 O ATOM 0 H SER A 10 -0.531 -6.592 -7.700 1.00 0.83 H new ATOM 0 HA SER A 10 1.055 -8.967 -7.927 1.00 1.29 H new ATOM 0 HB2 SER A 10 -0.819 -9.592 -9.504 1.00 2.36 H new ATOM 0 HB3 SER A 10 -1.290 -9.217 -7.859 1.00 2.36 H new ATOM 0 HG SER A 10 -2.530 -7.699 -8.655 1.00 3.16 H new ATOM 185 N ASN A 11 1.968 -8.932 -10.256 1.00 1.45 N ATOM 186 CA ASN A 11 3.315 -8.688 -10.737 1.00 1.79 C ATOM 187 C ASN A 11 3.415 -8.089 -12.126 1.00 1.40 C ATOM 188 O ASN A 11 3.083 -8.700 -13.136 1.00 1.83 O ATOM 189 CB ASN A 11 4.153 -9.963 -10.657 1.00 2.89 C ATOM 190 CG ASN A 11 5.630 -9.664 -10.801 1.00 3.45 C ATOM 191 OD1 ASN A 11 6.084 -8.574 -10.437 1.00 3.71 O ATOM 192 ND2 ASN A 11 6.389 -10.615 -11.316 1.00 4.02 N ATOM 0 H ASN A 11 1.656 -9.902 -10.307 1.00 1.45 H new ATOM 0 HA ASN A 11 3.710 -7.924 -10.067 1.00 1.79 H new ATOM 0 HB2 ASN A 11 3.972 -10.460 -9.704 1.00 2.89 H new ATOM 0 HB3 ASN A 11 3.842 -10.654 -11.441 1.00 2.89 H new ATOM 0 HD21 ASN A 11 7.392 -10.464 -11.426 1.00 4.02 H new ATOM 0 HD22 ASN A 11 5.972 -11.500 -11.603 1.00 4.02 H new ATOM 199 N GLY A 12 3.884 -6.849 -12.117 1.00 1.41 N ATOM 200 CA GLY A 12 4.464 -6.221 -13.289 1.00 1.36 C ATOM 201 C GLY A 12 5.838 -5.664 -12.942 1.00 1.49 C ATOM 202 O GLY A 12 6.287 -4.677 -13.516 1.00 2.34 O ATOM 0 H GLY A 12 3.871 -6.250 -11.291 1.00 1.41 H new ATOM 0 HA2 GLY A 12 4.548 -6.946 -14.099 1.00 1.36 H new ATOM 0 HA3 GLY A 12 3.815 -5.421 -13.644 1.00 1.36 H new ATOM 206 N GLY A 13 6.468 -6.330 -11.971 1.00 0.97 N ATOM 207 CA GLY A 13 7.727 -5.907 -11.354 1.00 1.26 C ATOM 208 C GLY A 13 7.937 -4.405 -11.286 1.00 0.84 C ATOM 209 O GLY A 13 8.693 -3.827 -12.061 1.00 0.89 O ATOM 0 H GLY A 13 6.107 -7.201 -11.582 1.00 0.97 H new ATOM 0 HA2 GLY A 13 7.772 -6.311 -10.343 1.00 1.26 H new ATOM 0 HA3 GLY A 13 8.553 -6.349 -11.911 1.00 1.26 H new ATOM 213 N HIS A 14 7.268 -3.788 -10.330 1.00 0.78 N ATOM 214 CA HIS A 14 7.505 -2.435 -9.924 1.00 0.61 C ATOM 215 C HIS A 14 7.483 -2.438 -8.410 1.00 0.61 C ATOM 216 O HIS A 14 7.059 -3.429 -7.813 1.00 0.92 O ATOM 217 CB HIS A 14 6.472 -1.483 -10.535 1.00 0.85 C ATOM 218 CG HIS A 14 6.794 -1.081 -11.950 1.00 0.75 C ATOM 219 ND1 HIS A 14 6.372 -1.782 -13.061 1.00 1.31 N ATOM 220 CD2 HIS A 14 7.516 -0.037 -12.430 1.00 1.07 C ATOM 221 CE1 HIS A 14 6.821 -1.189 -14.154 1.00 1.17 C ATOM 222 NE2 HIS A 14 7.516 -0.131 -13.795 1.00 0.95 N ATOM 0 H HIS A 14 6.521 -4.240 -9.803 1.00 0.78 H new ATOM 0 HA HIS A 14 8.467 -2.069 -10.282 1.00 0.61 H new ATOM 0 HB2 HIS A 14 5.492 -1.960 -10.515 1.00 0.85 H new ATOM 0 HB3 HIS A 14 6.404 -0.588 -9.917 1.00 0.85 H new ATOM 0 HD1 HIS A 14 5.802 -2.627 -13.042 1.00 1.31 H new ATOM 0 HD2 HIS A 14 8.002 0.728 -11.842 1.00 1.07 H new ATOM 0 HE1 HIS A 14 6.647 -1.517 -15.168 1.00 1.17 H new ATOM 231 N PHE A 15 7.938 -1.387 -7.789 1.00 0.49 N ATOM 232 CA PHE A 15 7.832 -1.256 -6.353 1.00 0.45 C ATOM 233 C PHE A 15 7.258 0.112 -6.066 1.00 0.39 C ATOM 234 O PHE A 15 7.672 1.087 -6.686 1.00 0.41 O ATOM 235 CB PHE A 15 9.200 -1.418 -5.684 1.00 0.51 C ATOM 236 CG PHE A 15 9.874 -2.728 -5.981 1.00 0.83 C ATOM 237 CD1 PHE A 15 9.274 -3.928 -5.637 1.00 1.13 C ATOM 238 CD2 PHE A 15 11.108 -2.757 -6.604 1.00 1.15 C ATOM 239 CE1 PHE A 15 9.895 -5.132 -5.909 1.00 1.61 C ATOM 240 CE2 PHE A 15 11.734 -3.956 -6.878 1.00 1.62 C ATOM 241 CZ PHE A 15 11.127 -5.146 -6.531 1.00 1.82 C ATOM 0 H PHE A 15 8.390 -0.600 -8.254 1.00 0.49 H new ATOM 0 HA PHE A 15 7.186 -2.036 -5.950 1.00 0.45 H new ATOM 0 HB2 PHE A 15 9.850 -0.605 -6.008 1.00 0.51 H new ATOM 0 HB3 PHE A 15 9.079 -1.319 -4.605 1.00 0.51 H new ATOM 0 HD1 PHE A 15 8.310 -3.923 -5.151 1.00 1.13 H new ATOM 0 HD2 PHE A 15 11.588 -1.830 -6.880 1.00 1.15 H new ATOM 0 HE1 PHE A 15 9.417 -6.061 -5.635 1.00 1.61 H new ATOM 0 HE2 PHE A 15 12.699 -3.963 -7.364 1.00 1.62 H new ATOM 0 HZ PHE A 15 11.615 -6.085 -6.746 1.00 1.82 H new ATOM 251 N LEU A 16 6.345 0.207 -5.120 1.00 0.43 N ATOM 252 CA LEU A 16 5.662 1.468 -4.890 1.00 0.50 C ATOM 253 C LEU A 16 6.520 2.353 -4.000 1.00 0.48 C ATOM 254 O LEU A 16 6.782 2.043 -2.840 1.00 0.64 O ATOM 255 CB LEU A 16 4.325 1.200 -4.208 1.00 0.75 C ATOM 256 CG LEU A 16 3.194 2.159 -4.547 1.00 1.35 C ATOM 257 CD1 LEU A 16 2.750 1.960 -5.984 1.00 2.23 C ATOM 258 CD2 LEU A 16 2.029 1.958 -3.593 1.00 1.59 C ATOM 0 H LEU A 16 6.061 -0.557 -4.507 1.00 0.43 H new ATOM 0 HA LEU A 16 5.490 1.971 -5.842 1.00 0.50 H new ATOM 0 HB2 LEU A 16 4.006 0.190 -4.464 1.00 0.75 H new ATOM 0 HB3 LEU A 16 4.480 1.221 -3.129 1.00 0.75 H new ATOM 0 HG LEU A 16 3.555 3.181 -4.437 1.00 1.35 H new ATOM 0 HD11 LEU A 16 1.940 2.652 -6.214 1.00 2.23 H new ATOM 0 HD12 LEU A 16 3.589 2.148 -6.654 1.00 2.23 H new ATOM 0 HD13 LEU A 16 2.401 0.936 -6.119 1.00 2.23 H new ATOM 0 HD21 LEU A 16 1.227 2.651 -3.847 1.00 1.59 H new ATOM 0 HD22 LEU A 16 1.664 0.934 -3.675 1.00 1.59 H new ATOM 0 HD23 LEU A 16 2.359 2.145 -2.571 1.00 1.59 H new ATOM 270 N ARG A 17 6.969 3.447 -4.597 1.00 0.40 N ATOM 271 CA ARG A 17 7.981 4.310 -4.018 1.00 0.42 C ATOM 272 C ARG A 17 7.445 5.730 -4.012 1.00 0.35 C ATOM 273 O ARG A 17 6.578 6.058 -4.825 1.00 0.37 O ATOM 274 CB ARG A 17 9.267 4.233 -4.846 1.00 0.59 C ATOM 275 CG ARG A 17 9.166 4.984 -6.155 1.00 1.00 C ATOM 276 CD ARG A 17 10.503 5.150 -6.851 1.00 1.17 C ATOM 277 NE ARG A 17 10.396 6.157 -7.901 1.00 1.46 N ATOM 278 CZ ARG A 17 11.380 6.549 -8.700 1.00 1.93 C ATOM 279 NH1 ARG A 17 12.573 5.965 -8.661 1.00 2.43 N ATOM 280 NH2 ARG A 17 11.151 7.515 -9.577 1.00 2.61 N ATOM 0 H ARG A 17 6.635 3.762 -5.508 1.00 0.40 H new ATOM 0 HA ARG A 17 8.211 3.994 -3.000 1.00 0.42 H new ATOM 0 HB2 ARG A 17 10.094 4.638 -4.263 1.00 0.59 H new ATOM 0 HB3 ARG A 17 9.501 3.188 -5.049 1.00 0.59 H new ATOM 0 HG2 ARG A 17 8.481 4.455 -6.818 1.00 1.00 H new ATOM 0 HG3 ARG A 17 8.735 5.968 -5.970 1.00 1.00 H new ATOM 0 HD2 ARG A 17 11.264 5.445 -6.129 1.00 1.17 H new ATOM 0 HD3 ARG A 17 10.821 4.199 -7.279 1.00 1.17 H new ATOM 0 HE ARG A 17 9.486 6.598 -8.032 1.00 1.46 H new ATOM 0 HH11 ARG A 17 12.745 5.200 -8.008 1.00 2.43 H new ATOM 0 HH12 ARG A 17 13.316 6.281 -9.284 1.00 2.43 H new ATOM 0 HH21 ARG A 17 10.228 7.946 -9.631 1.00 2.61 H new ATOM 0 HH22 ARG A 17 11.897 7.827 -10.198 1.00 2.61 H new ATOM 294 N ILE A 18 7.927 6.576 -3.118 1.00 0.33 N ATOM 295 CA ILE A 18 7.397 7.912 -3.047 1.00 0.31 C ATOM 296 C ILE A 18 8.191 8.868 -3.921 1.00 0.32 C ATOM 297 O ILE A 18 9.426 8.834 -3.973 1.00 0.36 O ATOM 298 CB ILE A 18 7.396 8.473 -1.616 1.00 0.36 C ATOM 299 CG1 ILE A 18 8.827 8.673 -1.110 1.00 0.45 C ATOM 300 CG2 ILE A 18 6.620 7.552 -0.688 1.00 0.41 C ATOM 301 CD1 ILE A 18 8.935 9.655 0.036 1.00 0.91 C ATOM 0 H ILE A 18 8.667 6.362 -2.449 1.00 0.33 H new ATOM 0 HA ILE A 18 6.369 7.836 -3.401 1.00 0.31 H new ATOM 0 HB ILE A 18 6.904 9.446 -1.627 1.00 0.36 H new ATOM 0 HG12 ILE A 18 9.228 7.711 -0.791 1.00 0.45 H new ATOM 0 HG13 ILE A 18 9.449 9.021 -1.935 1.00 0.45 H new ATOM 0 HG21 ILE A 18 6.628 7.962 0.322 1.00 0.41 H new ATOM 0 HG22 ILE A 18 5.591 7.467 -1.037 1.00 0.41 H new ATOM 0 HG23 ILE A 18 7.084 6.566 -0.683 1.00 0.41 H new ATOM 0 HD11 ILE A 18 9.978 9.745 0.341 1.00 0.91 H new ATOM 0 HD12 ILE A 18 8.565 10.629 -0.284 1.00 0.91 H new ATOM 0 HD13 ILE A 18 8.340 9.299 0.877 1.00 0.91 H new ATOM 313 N LEU A 19 7.453 9.688 -4.634 1.00 0.36 N ATOM 314 CA LEU A 19 8.014 10.767 -5.410 1.00 0.42 C ATOM 315 C LEU A 19 7.642 12.063 -4.696 1.00 0.41 C ATOM 316 O LEU A 19 6.516 12.191 -4.218 1.00 0.43 O ATOM 317 CB LEU A 19 7.443 10.706 -6.840 1.00 0.54 C ATOM 318 CG LEU A 19 8.236 11.445 -7.926 1.00 0.96 C ATOM 319 CD1 LEU A 19 7.938 10.846 -9.292 1.00 1.56 C ATOM 320 CD2 LEU A 19 7.902 12.925 -7.933 1.00 1.84 C ATOM 0 H LEU A 19 6.437 9.623 -4.691 1.00 0.36 H new ATOM 0 HA LEU A 19 9.099 10.700 -5.494 1.00 0.42 H new ATOM 0 HB2 LEU A 19 7.361 9.659 -7.130 1.00 0.54 H new ATOM 0 HB3 LEU A 19 6.431 11.111 -6.821 1.00 0.54 H new ATOM 0 HG LEU A 19 9.297 11.331 -7.704 1.00 0.96 H new ATOM 0 HD11 LEU A 19 8.506 11.378 -10.055 1.00 1.56 H new ATOM 0 HD12 LEU A 19 8.221 9.793 -9.297 1.00 1.56 H new ATOM 0 HD13 LEU A 19 6.873 10.936 -9.504 1.00 1.56 H new ATOM 0 HD21 LEU A 19 8.478 13.424 -8.712 1.00 1.84 H new ATOM 0 HD22 LEU A 19 6.838 13.057 -8.128 1.00 1.84 H new ATOM 0 HD23 LEU A 19 8.150 13.359 -6.964 1.00 1.84 H new ATOM 332 N PRO A 20 8.552 13.049 -4.619 1.00 0.54 N ATOM 333 CA PRO A 20 8.359 14.246 -3.777 1.00 0.67 C ATOM 334 C PRO A 20 7.310 15.213 -4.325 1.00 0.68 C ATOM 335 O PRO A 20 7.175 16.339 -3.846 1.00 0.84 O ATOM 336 CB PRO A 20 9.730 14.929 -3.813 1.00 0.89 C ATOM 337 CG PRO A 20 10.676 13.893 -4.313 1.00 0.96 C ATOM 338 CD PRO A 20 9.876 13.047 -5.254 1.00 0.70 C ATOM 0 HA PRO A 20 8.005 13.967 -2.784 1.00 0.67 H new ATOM 0 HB2 PRO A 20 9.718 15.799 -4.469 1.00 0.89 H new ATOM 0 HB3 PRO A 20 10.020 15.280 -2.823 1.00 0.89 H new ATOM 0 HG2 PRO A 20 11.526 14.349 -4.820 1.00 0.96 H new ATOM 0 HG3 PRO A 20 11.076 13.297 -3.493 1.00 0.96 H new ATOM 0 HD2 PRO A 20 9.847 13.470 -6.258 1.00 0.70 H new ATOM 0 HD3 PRO A 20 10.284 12.040 -5.344 1.00 0.70 H new ATOM 346 N ASP A 21 6.566 14.758 -5.315 1.00 0.62 N ATOM 347 CA ASP A 21 5.415 15.504 -5.812 1.00 0.78 C ATOM 348 C ASP A 21 4.152 15.057 -5.092 1.00 0.75 C ATOM 349 O ASP A 21 3.126 15.733 -5.135 1.00 0.99 O ATOM 350 CB ASP A 21 5.232 15.329 -7.324 1.00 0.94 C ATOM 351 CG ASP A 21 6.240 16.112 -8.140 1.00 1.51 C ATOM 352 OD1 ASP A 21 6.552 17.264 -7.762 1.00 1.71 O ATOM 353 OD2 ASP A 21 6.749 15.572 -9.145 1.00 2.30 O ATOM 0 H ASP A 21 6.735 13.874 -5.795 1.00 0.62 H new ATOM 0 HA ASP A 21 5.600 16.560 -5.614 1.00 0.78 H new ATOM 0 HB2 ASP A 21 5.315 14.271 -7.574 1.00 0.94 H new ATOM 0 HB3 ASP A 21 4.226 15.644 -7.601 1.00 0.94 H new ATOM 358 N GLY A 22 4.235 13.912 -4.426 1.00 0.59 N ATOM 359 CA GLY A 22 3.092 13.383 -3.711 1.00 0.72 C ATOM 360 C GLY A 22 2.496 12.176 -4.405 1.00 0.61 C ATOM 361 O GLY A 22 1.297 12.136 -4.677 1.00 0.81 O ATOM 0 H GLY A 22 5.077 13.339 -4.369 1.00 0.59 H new ATOM 0 HA2 GLY A 22 3.393 13.108 -2.700 1.00 0.72 H new ATOM 0 HA3 GLY A 22 2.332 14.159 -3.618 1.00 0.72 H new ATOM 365 N THR A 23 3.337 11.201 -4.713 1.00 0.43 N ATOM 366 CA THR A 23 2.918 9.997 -5.362 1.00 0.39 C ATOM 367 C THR A 23 3.535 8.807 -4.677 1.00 0.40 C ATOM 368 O THR A 23 4.646 8.903 -4.153 1.00 0.46 O ATOM 369 CB THR A 23 3.447 9.958 -6.784 1.00 0.44 C ATOM 370 OG1 THR A 23 3.748 11.286 -7.244 1.00 0.49 O ATOM 371 CG2 THR A 23 2.439 9.310 -7.706 1.00 0.59 C ATOM 0 H THR A 23 4.336 11.236 -4.512 1.00 0.43 H new ATOM 0 HA THR A 23 1.829 9.971 -5.333 1.00 0.39 H new ATOM 0 HB THR A 23 4.362 9.366 -6.792 1.00 0.44 H new ATOM 0 HG1 THR A 23 4.090 11.245 -8.162 1.00 0.49 H new ATOM 0 HG21 THR A 23 2.835 9.290 -8.721 1.00 0.59 H new ATOM 0 HG22 THR A 23 2.244 8.291 -7.373 1.00 0.59 H new ATOM 0 HG23 THR A 23 1.511 9.881 -7.689 1.00 0.59 H new ATOM 379 N VAL A 24 2.841 7.695 -4.668 1.00 0.47 N ATOM 380 CA VAL A 24 3.521 6.447 -4.454 1.00 0.56 C ATOM 381 C VAL A 24 3.194 5.515 -5.619 1.00 0.42 C ATOM 382 O VAL A 24 2.058 5.082 -5.828 1.00 0.50 O ATOM 383 CB VAL A 24 3.192 5.824 -3.089 1.00 0.91 C ATOM 384 CG1 VAL A 24 1.789 5.286 -3.072 1.00 0.97 C ATOM 385 CG2 VAL A 24 4.202 4.748 -2.735 1.00 1.61 C ATOM 0 H VAL A 24 1.832 7.630 -4.803 1.00 0.47 H new ATOM 0 HA VAL A 24 4.596 6.623 -4.427 1.00 0.56 H new ATOM 0 HB VAL A 24 3.256 6.604 -2.330 1.00 0.91 H new ATOM 0 HG11 VAL A 24 1.578 4.850 -2.096 1.00 0.97 H new ATOM 0 HG12 VAL A 24 1.086 6.096 -3.267 1.00 0.97 H new ATOM 0 HG13 VAL A 24 1.683 4.521 -3.841 1.00 0.97 H new ATOM 0 HG21 VAL A 24 3.952 4.319 -1.765 1.00 1.61 H new ATOM 0 HG22 VAL A 24 4.181 3.966 -3.494 1.00 1.61 H new ATOM 0 HG23 VAL A 24 5.199 5.185 -2.692 1.00 1.61 H new ATOM 395 N ASP A 25 4.182 5.325 -6.451 1.00 0.37 N ATOM 396 CA ASP A 25 4.022 4.544 -7.667 1.00 0.37 C ATOM 397 C ASP A 25 5.090 3.501 -7.812 1.00 0.39 C ATOM 398 O ASP A 25 6.186 3.643 -7.266 1.00 0.43 O ATOM 399 CB ASP A 25 4.006 5.462 -8.895 1.00 0.48 C ATOM 400 CG ASP A 25 5.261 6.301 -9.039 1.00 0.80 C ATOM 401 OD1 ASP A 25 6.241 5.829 -9.660 1.00 1.10 O ATOM 402 OD2 ASP A 25 5.269 7.450 -8.552 1.00 1.16 O ATOM 0 H ASP A 25 5.120 5.702 -6.314 1.00 0.37 H new ATOM 0 HA ASP A 25 3.066 4.025 -7.595 1.00 0.37 H new ATOM 0 HB2 ASP A 25 3.880 4.855 -9.791 1.00 0.48 H new ATOM 0 HB3 ASP A 25 3.142 6.123 -8.833 1.00 0.48 H new ATOM 407 N GLY A 26 4.766 2.434 -8.536 1.00 0.38 N ATOM 408 CA GLY A 26 5.767 1.445 -8.802 1.00 0.40 C ATOM 409 C GLY A 26 6.827 1.951 -9.746 1.00 0.42 C ATOM 410 O GLY A 26 6.550 2.486 -10.818 1.00 0.52 O ATOM 0 H GLY A 26 3.845 2.248 -8.932 1.00 0.38 H new ATOM 0 HA2 GLY A 26 6.233 1.140 -7.865 1.00 0.40 H new ATOM 0 HA3 GLY A 26 5.296 0.559 -9.228 1.00 0.40 H new ATOM 414 N THR A 27 8.032 1.734 -9.316 1.00 0.42 N ATOM 415 CA THR A 27 9.239 1.936 -10.065 1.00 0.50 C ATOM 416 C THR A 27 10.163 0.865 -9.573 1.00 0.54 C ATOM 417 O THR A 27 10.060 0.515 -8.395 1.00 0.56 O ATOM 418 CB THR A 27 9.830 3.329 -9.801 1.00 0.57 C ATOM 419 OG1 THR A 27 8.982 4.339 -10.363 1.00 0.67 O ATOM 420 CG2 THR A 27 11.227 3.434 -10.372 1.00 0.70 C ATOM 0 H THR A 27 8.212 1.389 -8.373 1.00 0.42 H new ATOM 0 HA THR A 27 9.070 1.882 -11.141 1.00 0.50 H new ATOM 0 HB THR A 27 9.891 3.481 -8.723 1.00 0.57 H new ATOM 0 HG1 THR A 27 8.210 4.482 -9.776 1.00 0.67 H new ATOM 0 HG21 THR A 27 11.627 4.428 -10.174 1.00 0.70 H new ATOM 0 HG22 THR A 27 11.868 2.686 -9.906 1.00 0.70 H new ATOM 0 HG23 THR A 27 11.194 3.264 -11.448 1.00 0.70 H new ATOM 428 N ARG A 28 11.030 0.281 -10.370 1.00 0.64 N ATOM 429 CA ARG A 28 11.796 -0.752 -9.746 1.00 0.71 C ATOM 430 C ARG A 28 13.024 -0.126 -9.128 1.00 0.65 C ATOM 431 O ARG A 28 13.986 0.248 -9.797 1.00 0.72 O ATOM 432 CB ARG A 28 12.186 -1.806 -10.763 1.00 0.91 C ATOM 433 CG ARG A 28 12.519 -3.164 -10.169 1.00 1.56 C ATOM 434 CD ARG A 28 12.856 -4.160 -11.265 1.00 1.84 C ATOM 435 NE ARG A 28 13.057 -5.513 -10.753 1.00 2.32 N ATOM 436 CZ ARG A 28 14.093 -6.284 -11.084 1.00 2.92 C ATOM 437 NH1 ARG A 28 15.070 -5.805 -11.848 1.00 3.18 N ATOM 438 NH2 ARG A 28 14.165 -7.529 -10.638 1.00 3.76 N ATOM 0 H ARG A 28 11.208 0.481 -11.354 1.00 0.64 H new ATOM 0 HA ARG A 28 11.204 -1.241 -8.972 1.00 0.71 H new ATOM 0 HB2 ARG A 28 11.369 -1.926 -11.475 1.00 0.91 H new ATOM 0 HB3 ARG A 28 13.049 -1.448 -11.325 1.00 0.91 H new ATOM 0 HG2 ARG A 28 13.362 -3.070 -9.484 1.00 1.56 H new ATOM 0 HG3 ARG A 28 11.673 -3.529 -9.586 1.00 1.56 H new ATOM 0 HD2 ARG A 28 12.052 -4.170 -12.001 1.00 1.84 H new ATOM 0 HD3 ARG A 28 13.758 -3.834 -11.782 1.00 1.84 H new ATOM 0 HE ARG A 28 12.365 -5.890 -10.105 1.00 2.32 H new ATOM 0 HH11 ARG A 28 15.029 -4.843 -12.184 1.00 3.18 H new ATOM 0 HH12 ARG A 28 15.860 -6.400 -12.098 1.00 3.18 H new ATOM 0 HH21 ARG A 28 13.427 -7.900 -10.040 1.00 3.76 H new ATOM 0 HH22 ARG A 28 14.959 -8.117 -10.893 1.00 3.76 H new ATOM 452 N ASP A 29 12.951 -0.063 -7.828 1.00 0.68 N ATOM 453 CA ASP A 29 14.066 0.265 -6.955 1.00 0.69 C ATOM 454 C ASP A 29 13.910 -0.503 -5.666 1.00 0.81 C ATOM 455 O ASP A 29 12.978 -0.246 -4.923 1.00 1.48 O ATOM 456 CB ASP A 29 14.102 1.761 -6.592 1.00 1.04 C ATOM 457 CG ASP A 29 14.484 2.681 -7.729 1.00 1.58 C ATOM 458 OD1 ASP A 29 15.456 2.383 -8.450 1.00 1.84 O ATOM 459 OD2 ASP A 29 13.827 3.736 -7.878 1.00 2.20 O ATOM 0 H ASP A 29 12.086 -0.244 -7.319 1.00 0.68 H new ATOM 0 HA ASP A 29 14.983 0.009 -7.485 1.00 0.69 H new ATOM 0 HB2 ASP A 29 13.120 2.054 -6.221 1.00 1.04 H new ATOM 0 HB3 ASP A 29 14.808 1.905 -5.774 1.00 1.04 H new ATOM 464 N ARG A 30 14.791 -1.419 -5.366 1.00 0.62 N ATOM 465 CA ARG A 30 14.821 -1.956 -4.018 1.00 0.91 C ATOM 466 C ARG A 30 16.235 -1.896 -3.495 1.00 1.03 C ATOM 467 O ARG A 30 16.567 -2.435 -2.442 1.00 1.18 O ATOM 468 CB ARG A 30 14.210 -3.358 -3.926 1.00 1.63 C ATOM 469 CG ARG A 30 15.145 -4.518 -4.259 1.00 2.20 C ATOM 470 CD ARG A 30 15.589 -4.511 -5.713 1.00 2.58 C ATOM 471 NE ARG A 30 16.071 -5.825 -6.142 1.00 3.27 N ATOM 472 CZ ARG A 30 17.273 -6.051 -6.678 1.00 3.80 C ATOM 473 NH1 ARG A 30 18.162 -5.070 -6.788 1.00 3.96 N ATOM 474 NH2 ARG A 30 17.595 -7.268 -7.094 1.00 4.57 N ATOM 0 H ARG A 30 15.482 -1.805 -6.010 1.00 0.62 H new ATOM 0 HA ARG A 30 14.189 -1.339 -3.380 1.00 0.91 H new ATOM 0 HB2 ARG A 30 13.831 -3.502 -2.914 1.00 1.63 H new ATOM 0 HB3 ARG A 30 13.353 -3.404 -4.597 1.00 1.63 H new ATOM 0 HG2 ARG A 30 16.023 -4.469 -3.615 1.00 2.20 H new ATOM 0 HG3 ARG A 30 14.642 -5.460 -4.041 1.00 2.20 H new ATOM 0 HD2 ARG A 30 14.756 -4.205 -6.346 1.00 2.58 H new ATOM 0 HD3 ARG A 30 16.379 -3.772 -5.848 1.00 2.58 H new ATOM 0 HE ARG A 30 15.446 -6.622 -6.023 1.00 3.27 H new ATOM 0 HH11 ARG A 30 17.930 -4.132 -6.461 1.00 3.96 H new ATOM 0 HH12 ARG A 30 19.077 -5.255 -7.199 1.00 3.96 H new ATOM 0 HH21 ARG A 30 16.925 -8.032 -7.005 1.00 4.57 H new ATOM 0 HH22 ARG A 30 18.513 -7.441 -7.503 1.00 4.57 H new ATOM 488 N SER A 31 17.060 -1.212 -4.261 1.00 1.72 N ATOM 489 CA SER A 31 18.426 -0.962 -3.890 1.00 2.60 C ATOM 490 C SER A 31 18.563 0.493 -3.481 1.00 2.41 C ATOM 491 O SER A 31 19.656 0.968 -3.174 1.00 2.90 O ATOM 492 CB SER A 31 19.333 -1.269 -5.078 1.00 3.49 C ATOM 493 OG SER A 31 18.975 -2.508 -5.675 1.00 4.00 O ATOM 0 H SER A 31 16.794 -0.814 -5.162 1.00 1.72 H new ATOM 0 HA SER A 31 18.716 -1.598 -3.054 1.00 2.60 H new ATOM 0 HB2 SER A 31 19.259 -0.469 -5.815 1.00 3.49 H new ATOM 0 HB3 SER A 31 20.372 -1.304 -4.750 1.00 3.49 H new ATOM 0 HG SER A 31 19.566 -2.687 -6.436 1.00 4.00 H new ATOM 499 N ASP A 32 17.435 1.209 -3.478 1.00 1.76 N ATOM 500 CA ASP A 32 17.444 2.607 -3.162 1.00 1.59 C ATOM 501 C ASP A 32 16.595 2.832 -1.925 1.00 1.18 C ATOM 502 O ASP A 32 16.055 1.893 -1.338 1.00 1.25 O ATOM 503 CB ASP A 32 16.894 3.409 -4.352 1.00 1.59 C ATOM 504 CG ASP A 32 17.301 4.872 -4.323 1.00 1.92 C ATOM 505 OD1 ASP A 32 16.630 5.663 -3.632 1.00 2.37 O ATOM 506 OD2 ASP A 32 18.291 5.236 -4.984 1.00 2.08 O ATOM 0 H ASP A 32 16.514 0.828 -3.693 1.00 1.76 H new ATOM 0 HA ASP A 32 18.462 2.943 -2.964 1.00 1.59 H new ATOM 0 HB2 ASP A 32 17.246 2.958 -5.280 1.00 1.59 H new ATOM 0 HB3 ASP A 32 15.806 3.341 -4.357 1.00 1.59 H new ATOM 511 N GLN A 33 16.440 4.073 -1.578 1.00 1.02 N ATOM 512 CA GLN A 33 15.773 4.468 -0.367 1.00 0.76 C ATOM 513 C GLN A 33 14.386 5.029 -0.652 1.00 0.55 C ATOM 514 O GLN A 33 14.094 6.158 -0.286 1.00 0.72 O ATOM 515 CB GLN A 33 16.640 5.513 0.295 1.00 1.03 C ATOM 516 CG GLN A 33 17.788 4.942 1.108 1.00 1.73 C ATOM 517 CD GLN A 33 18.681 6.024 1.678 1.00 2.18 C ATOM 518 OE1 GLN A 33 18.827 7.099 1.092 1.00 2.42 O ATOM 519 NE2 GLN A 33 19.296 5.746 2.814 1.00 2.92 N ATOM 0 H GLN A 33 16.778 4.857 -2.136 1.00 1.02 H new ATOM 0 HA GLN A 33 15.633 3.604 0.283 1.00 0.76 H new ATOM 0 HB2 GLN A 33 17.045 6.173 -0.472 1.00 1.03 H new ATOM 0 HB3 GLN A 33 16.018 6.126 0.946 1.00 1.03 H new ATOM 0 HG2 GLN A 33 17.388 4.337 1.922 1.00 1.73 H new ATOM 0 HG3 GLN A 33 18.381 4.278 0.479 1.00 1.73 H new ATOM 0 HE21 GLN A 33 19.148 4.844 3.267 1.00 2.92 H new ATOM 0 HE22 GLN A 33 19.919 6.433 3.238 1.00 2.92 H new ATOM 528 N HIS A 34 13.528 4.267 -1.316 1.00 0.44 N ATOM 529 CA HIS A 34 12.208 4.790 -1.658 1.00 0.36 C ATOM 530 C HIS A 34 11.079 3.857 -1.229 1.00 0.32 C ATOM 531 O HIS A 34 10.004 4.316 -0.864 1.00 0.37 O ATOM 532 CB HIS A 34 12.107 5.045 -3.169 1.00 0.57 C ATOM 533 CG HIS A 34 12.934 6.192 -3.665 1.00 0.85 C ATOM 534 ND1 HIS A 34 13.777 6.100 -4.755 1.00 1.54 N ATOM 535 CD2 HIS A 34 13.021 7.474 -3.235 1.00 1.29 C ATOM 536 CE1 HIS A 34 14.343 7.275 -4.969 1.00 1.61 C ATOM 537 NE2 HIS A 34 13.901 8.122 -4.064 1.00 1.34 N ATOM 0 H HIS A 34 13.711 3.312 -1.622 1.00 0.44 H new ATOM 0 HA HIS A 34 12.093 5.726 -1.112 1.00 0.36 H new ATOM 0 HB2 HIS A 34 12.409 4.141 -3.698 1.00 0.57 H new ATOM 0 HB3 HIS A 34 11.063 5.230 -3.424 1.00 0.57 H new ATOM 0 HD2 HIS A 34 12.495 7.905 -2.396 1.00 1.29 H new ATOM 0 HE1 HIS A 34 15.049 7.502 -5.754 1.00 1.61 H new ATOM 0 HE2 HIS A 34 14.170 9.103 -3.991 1.00 1.34 H new ATOM 546 N ILE A 35 11.320 2.557 -1.275 1.00 0.38 N ATOM 547 CA ILE A 35 10.260 1.583 -1.020 1.00 0.45 C ATOM 548 C ILE A 35 10.113 1.175 0.454 1.00 0.46 C ATOM 549 O ILE A 35 9.561 0.110 0.735 1.00 0.63 O ATOM 550 CB ILE A 35 10.465 0.310 -1.878 1.00 0.63 C ATOM 551 CG1 ILE A 35 11.619 -0.574 -1.351 1.00 1.16 C ATOM 552 CG2 ILE A 35 10.716 0.705 -3.325 1.00 1.51 C ATOM 553 CD1 ILE A 35 13.006 0.032 -1.461 1.00 2.04 C ATOM 0 H ILE A 35 12.231 2.149 -1.484 1.00 0.38 H new ATOM 0 HA ILE A 35 9.338 2.093 -1.300 1.00 0.45 H new ATOM 0 HB ILE A 35 9.555 -0.286 -1.812 1.00 0.63 H new ATOM 0 HG12 ILE A 35 11.425 -0.808 -0.304 1.00 1.16 H new ATOM 0 HG13 ILE A 35 11.609 -1.518 -1.896 1.00 1.16 H new ATOM 0 HG21 ILE A 35 10.860 -0.192 -3.927 1.00 1.51 H new ATOM 0 HG22 ILE A 35 9.859 1.263 -3.704 1.00 1.51 H new ATOM 0 HG23 ILE A 35 11.609 1.328 -3.383 1.00 1.51 H new ATOM 0 HD11 ILE A 35 13.741 -0.668 -1.064 1.00 2.04 H new ATOM 0 HD12 ILE A 35 13.230 0.240 -2.507 1.00 2.04 H new ATOM 0 HD13 ILE A 35 13.044 0.960 -0.891 1.00 2.04 H new ATOM 565 N GLN A 36 10.568 1.995 1.407 1.00 0.38 N ATOM 566 CA GLN A 36 10.530 1.550 2.804 1.00 0.37 C ATOM 567 C GLN A 36 9.423 2.223 3.607 1.00 0.35 C ATOM 568 O GLN A 36 9.590 3.328 4.133 1.00 0.35 O ATOM 569 CB GLN A 36 11.874 1.789 3.500 1.00 0.43 C ATOM 570 CG GLN A 36 12.381 3.222 3.401 1.00 0.52 C ATOM 571 CD GLN A 36 13.529 3.352 2.418 1.00 0.71 C ATOM 572 OE1 GLN A 36 13.576 2.469 1.433 1.00 1.17 O flip ATOM 573 NE2 GLN A 36 14.383 4.224 2.558 1.00 1.29 N flip ATOM 0 H GLN A 36 10.950 2.928 1.250 1.00 0.38 H new ATOM 0 HA GLN A 36 10.320 0.481 2.770 1.00 0.37 H new ATOM 0 HB2 GLN A 36 11.779 1.521 4.552 1.00 0.43 H new ATOM 0 HB3 GLN A 36 12.619 1.121 3.067 1.00 0.43 H new ATOM 0 HG2 GLN A 36 11.564 3.875 3.093 1.00 0.52 H new ATOM 0 HG3 GLN A 36 12.706 3.560 4.385 1.00 0.52 H new ATOM 0 HE21 GLN A 36 14.313 4.887 3.330 1.00 1.29 H new ATOM 0 HE22 GLN A 36 15.162 4.285 1.902 1.00 1.29 H new ATOM 582 N LEU A 37 8.332 1.505 3.798 1.00 0.36 N ATOM 583 CA LEU A 37 7.232 2.016 4.590 1.00 0.35 C ATOM 584 C LEU A 37 7.095 1.237 5.872 1.00 0.37 C ATOM 585 O LEU A 37 7.217 0.020 5.895 1.00 0.48 O ATOM 586 CB LEU A 37 5.903 2.005 3.827 1.00 0.38 C ATOM 587 CG LEU A 37 5.674 0.851 2.841 1.00 0.45 C ATOM 588 CD1 LEU A 37 4.185 0.642 2.621 1.00 0.94 C ATOM 589 CD2 LEU A 37 6.354 1.134 1.505 1.00 0.94 C ATOM 0 H LEU A 37 8.185 0.570 3.417 1.00 0.36 H new ATOM 0 HA LEU A 37 7.468 3.055 4.819 1.00 0.35 H new ATOM 0 HB2 LEU A 37 5.094 1.992 4.557 1.00 0.38 H new ATOM 0 HB3 LEU A 37 5.821 2.942 3.276 1.00 0.38 H new ATOM 0 HG LEU A 37 6.109 -0.053 3.268 1.00 0.45 H new ATOM 0 HD11 LEU A 37 4.032 -0.179 1.920 1.00 0.94 H new ATOM 0 HD12 LEU A 37 3.707 0.402 3.571 1.00 0.94 H new ATOM 0 HD13 LEU A 37 3.746 1.553 2.214 1.00 0.94 H new ATOM 0 HD21 LEU A 37 6.177 0.302 0.823 1.00 0.94 H new ATOM 0 HD22 LEU A 37 5.945 2.048 1.075 1.00 0.94 H new ATOM 0 HD23 LEU A 37 7.426 1.254 1.661 1.00 0.94 H new ATOM 601 N GLN A 38 6.796 1.942 6.929 1.00 0.34 N ATOM 602 CA GLN A 38 6.723 1.344 8.234 1.00 0.39 C ATOM 603 C GLN A 38 5.316 0.841 8.466 1.00 0.40 C ATOM 604 O GLN A 38 4.374 1.620 8.616 1.00 0.41 O ATOM 605 CB GLN A 38 7.122 2.373 9.286 1.00 0.45 C ATOM 606 CG GLN A 38 7.131 1.847 10.716 1.00 0.93 C ATOM 607 CD GLN A 38 7.911 0.558 10.869 1.00 1.37 C ATOM 608 OE1 GLN A 38 9.125 0.575 11.055 1.00 2.05 O ATOM 609 NE2 GLN A 38 7.211 -0.568 10.842 1.00 2.12 N ATOM 0 H GLN A 38 6.597 2.942 6.911 1.00 0.34 H new ATOM 0 HA GLN A 38 7.410 0.501 8.306 1.00 0.39 H new ATOM 0 HB2 GLN A 38 8.115 2.752 9.046 1.00 0.45 H new ATOM 0 HB3 GLN A 38 6.436 3.218 9.228 1.00 0.45 H new ATOM 0 HG2 GLN A 38 7.559 2.604 11.373 1.00 0.93 H new ATOM 0 HG3 GLN A 38 6.104 1.685 11.044 1.00 0.93 H new ATOM 0 HE21 GLN A 38 6.204 -0.539 10.685 1.00 2.12 H new ATOM 0 HE22 GLN A 38 7.680 -1.463 10.979 1.00 2.12 H new ATOM 618 N LEU A 39 5.183 -0.469 8.458 1.00 0.43 N ATOM 619 CA LEU A 39 3.885 -1.086 8.561 1.00 0.46 C ATOM 620 C LEU A 39 3.515 -1.302 10.017 1.00 0.55 C ATOM 621 O LEU A 39 4.235 -1.968 10.760 1.00 0.77 O ATOM 622 CB LEU A 39 3.853 -2.430 7.827 1.00 0.61 C ATOM 623 CG LEU A 39 2.465 -3.069 7.777 1.00 1.05 C ATOM 624 CD1 LEU A 39 1.510 -2.198 6.977 1.00 1.75 C ATOM 625 CD2 LEU A 39 2.531 -4.472 7.199 1.00 1.45 C ATOM 0 H LEU A 39 5.961 -1.124 8.381 1.00 0.43 H new ATOM 0 HA LEU A 39 3.163 -0.414 8.097 1.00 0.46 H new ATOM 0 HB2 LEU A 39 4.214 -2.287 6.809 1.00 0.61 H new ATOM 0 HB3 LEU A 39 4.543 -3.118 8.316 1.00 0.61 H new ATOM 0 HG LEU A 39 2.088 -3.147 8.797 1.00 1.05 H new ATOM 0 HD11 LEU A 39 0.526 -2.666 6.950 1.00 1.75 H new ATOM 0 HD12 LEU A 39 1.433 -1.217 7.446 1.00 1.75 H new ATOM 0 HD13 LEU A 39 1.886 -2.085 5.960 1.00 1.75 H new ATOM 0 HD21 LEU A 39 1.530 -4.903 7.175 1.00 1.45 H new ATOM 0 HD22 LEU A 39 2.932 -4.430 6.186 1.00 1.45 H new ATOM 0 HD23 LEU A 39 3.178 -5.091 7.820 1.00 1.45 H new ATOM 637 N SER A 40 2.409 -0.716 10.424 1.00 0.46 N ATOM 638 CA SER A 40 1.827 -1.022 11.711 1.00 0.56 C ATOM 639 C SER A 40 0.861 -2.185 11.526 1.00 0.42 C ATOM 640 O SER A 40 0.520 -2.534 10.394 1.00 0.37 O ATOM 641 CB SER A 40 1.134 0.202 12.301 1.00 0.71 C ATOM 642 OG SER A 40 2.034 1.298 12.398 1.00 1.38 O ATOM 0 H SER A 40 1.895 -0.023 9.880 1.00 0.46 H new ATOM 0 HA SER A 40 2.605 -1.306 12.420 1.00 0.56 H new ATOM 0 HB2 SER A 40 0.284 0.479 11.678 1.00 0.71 H new ATOM 0 HB3 SER A 40 0.740 -0.039 13.289 1.00 0.71 H new ATOM 0 HG SER A 40 1.567 2.072 12.777 1.00 1.38 H new ATOM 648 N ALA A 41 0.396 -2.759 12.614 1.00 0.56 N ATOM 649 CA ALA A 41 -0.141 -4.105 12.571 1.00 0.56 C ATOM 650 C ALA A 41 -1.626 -4.188 12.860 1.00 0.64 C ATOM 651 O ALA A 41 -2.154 -3.510 13.746 1.00 0.84 O ATOM 652 CB ALA A 41 0.626 -5.014 13.515 1.00 0.89 C ATOM 0 H ALA A 41 0.378 -2.320 13.534 1.00 0.56 H new ATOM 0 HA ALA A 41 -0.013 -4.441 11.542 1.00 0.56 H new ATOM 0 HB1 ALA A 41 0.209 -6.020 13.470 1.00 0.89 H new ATOM 0 HB2 ALA A 41 1.675 -5.042 13.221 1.00 0.89 H new ATOM 0 HB3 ALA A 41 0.545 -4.633 14.533 1.00 0.89 H new ATOM 658 N GLU A 42 -2.277 -5.048 12.086 1.00 0.92 N ATOM 659 CA GLU A 42 -3.679 -5.296 12.178 1.00 1.34 C ATOM 660 C GLU A 42 -3.994 -6.007 13.471 1.00 1.34 C ATOM 661 O GLU A 42 -3.868 -7.222 13.633 1.00 1.64 O ATOM 662 CB GLU A 42 -4.170 -6.114 10.967 1.00 1.88 C ATOM 663 CG GLU A 42 -3.536 -7.497 10.816 1.00 2.46 C ATOM 664 CD GLU A 42 -2.128 -7.477 10.241 1.00 2.62 C ATOM 665 OE1 GLU A 42 -1.184 -7.153 10.982 1.00 2.70 O ATOM 666 OE2 GLU A 42 -1.962 -7.760 9.037 1.00 3.12 O ATOM 0 H GLU A 42 -1.816 -5.599 11.362 1.00 0.92 H new ATOM 0 HA GLU A 42 -4.204 -4.341 12.170 1.00 1.34 H new ATOM 0 HB2 GLU A 42 -5.251 -6.234 11.044 1.00 1.88 H new ATOM 0 HB3 GLU A 42 -3.976 -5.542 10.060 1.00 1.88 H new ATOM 0 HG2 GLU A 42 -3.511 -7.982 11.792 1.00 2.46 H new ATOM 0 HG3 GLU A 42 -4.170 -8.107 10.173 1.00 2.46 H new ATOM 673 N SER A 43 -4.399 -5.181 14.385 1.00 1.09 N ATOM 674 CA SER A 43 -4.904 -5.622 15.666 1.00 1.14 C ATOM 675 C SER A 43 -6.341 -6.038 15.446 1.00 1.00 C ATOM 676 O SER A 43 -6.593 -7.175 15.049 1.00 1.09 O ATOM 677 CB SER A 43 -4.785 -4.501 16.706 1.00 1.24 C ATOM 678 OG SER A 43 -5.335 -4.886 17.951 1.00 1.59 O ATOM 0 H SER A 43 -4.392 -4.168 14.270 1.00 1.09 H new ATOM 0 HA SER A 43 -4.327 -6.461 16.056 1.00 1.14 H new ATOM 0 HB2 SER A 43 -3.736 -4.236 16.837 1.00 1.24 H new ATOM 0 HB3 SER A 43 -5.296 -3.610 16.342 1.00 1.24 H new ATOM 0 HG SER A 43 -5.242 -4.150 18.591 1.00 1.59 H new ATOM 684 N VAL A 44 -7.291 -5.162 15.670 1.00 0.92 N ATOM 685 CA VAL A 44 -8.577 -5.390 15.057 1.00 0.91 C ATOM 686 C VAL A 44 -8.503 -4.905 13.612 1.00 0.77 C ATOM 687 O VAL A 44 -8.577 -3.708 13.361 1.00 0.79 O ATOM 688 CB VAL A 44 -9.714 -4.663 15.807 1.00 1.07 C ATOM 689 CG1 VAL A 44 -11.059 -4.944 15.154 1.00 1.85 C ATOM 690 CG2 VAL A 44 -9.733 -5.076 17.272 1.00 1.83 C ATOM 0 H VAL A 44 -7.208 -4.323 16.244 1.00 0.92 H new ATOM 0 HA VAL A 44 -8.806 -6.455 15.098 1.00 0.91 H new ATOM 0 HB VAL A 44 -9.529 -3.590 15.752 1.00 1.07 H new ATOM 0 HG11 VAL A 44 -11.845 -4.421 15.700 1.00 1.85 H new ATOM 0 HG12 VAL A 44 -11.042 -4.596 14.121 1.00 1.85 H new ATOM 0 HG13 VAL A 44 -11.256 -6.016 15.173 1.00 1.85 H new ATOM 0 HG21 VAL A 44 -10.540 -4.555 17.787 1.00 1.83 H new ATOM 0 HG22 VAL A 44 -9.892 -6.152 17.345 1.00 1.83 H new ATOM 0 HG23 VAL A 44 -8.781 -4.818 17.735 1.00 1.83 H new ATOM 700 N GLY A 45 -8.404 -5.859 12.684 1.00 0.73 N ATOM 701 CA GLY A 45 -8.462 -5.617 11.251 1.00 0.67 C ATOM 702 C GLY A 45 -7.793 -4.347 10.767 1.00 0.54 C ATOM 703 O GLY A 45 -8.219 -3.797 9.760 1.00 0.56 O ATOM 0 H GLY A 45 -8.278 -6.843 12.920 1.00 0.73 H new ATOM 0 HA2 GLY A 45 -8.003 -6.464 10.740 1.00 0.67 H new ATOM 0 HA3 GLY A 45 -9.509 -5.591 10.948 1.00 0.67 H new ATOM 707 N GLU A 46 -6.756 -3.858 11.433 1.00 0.56 N ATOM 708 CA GLU A 46 -6.250 -2.564 11.050 1.00 0.50 C ATOM 709 C GLU A 46 -4.766 -2.526 10.723 1.00 0.40 C ATOM 710 O GLU A 46 -3.921 -2.704 11.588 1.00 0.48 O ATOM 711 CB GLU A 46 -6.539 -1.562 12.160 1.00 0.75 C ATOM 712 CG GLU A 46 -6.048 -2.031 13.522 1.00 1.02 C ATOM 713 CD GLU A 46 -6.114 -0.959 14.581 1.00 1.35 C ATOM 714 OE1 GLU A 46 -7.202 -0.763 15.164 1.00 1.80 O ATOM 715 OE2 GLU A 46 -5.093 -0.292 14.820 1.00 1.67 O ATOM 0 H GLU A 46 -6.273 -4.318 12.205 1.00 0.56 H new ATOM 0 HA GLU A 46 -6.767 -2.309 10.125 1.00 0.50 H new ATOM 0 HB2 GLU A 46 -6.066 -0.611 11.916 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -7.613 -1.381 12.209 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -6.645 -2.885 13.842 1.00 1.02 H new ATOM 0 HG3 GLU A 46 -5.019 -2.378 13.430 1.00 1.02 H new ATOM 722 N VAL A 47 -4.450 -2.159 9.499 1.00 0.33 N ATOM 723 CA VAL A 47 -3.063 -2.000 9.104 1.00 0.33 C ATOM 724 C VAL A 47 -2.758 -0.543 8.852 1.00 0.33 C ATOM 725 O VAL A 47 -3.569 0.188 8.280 1.00 0.36 O ATOM 726 CB VAL A 47 -2.675 -2.816 7.865 1.00 0.40 C ATOM 727 CG1 VAL A 47 -2.590 -4.296 8.202 1.00 0.46 C ATOM 728 CG2 VAL A 47 -3.655 -2.575 6.726 1.00 0.48 C ATOM 0 H VAL A 47 -5.129 -1.966 8.763 1.00 0.33 H new ATOM 0 HA VAL A 47 -2.470 -2.382 9.935 1.00 0.33 H new ATOM 0 HB VAL A 47 -1.690 -2.485 7.536 1.00 0.40 H new ATOM 0 HG11 VAL A 47 -2.313 -4.857 7.309 1.00 0.46 H new ATOM 0 HG12 VAL A 47 -1.838 -4.450 8.975 1.00 0.46 H new ATOM 0 HG13 VAL A 47 -3.558 -4.643 8.563 1.00 0.46 H new ATOM 0 HG21 VAL A 47 -3.358 -3.165 5.859 1.00 0.48 H new ATOM 0 HG22 VAL A 47 -4.657 -2.870 7.039 1.00 0.48 H new ATOM 0 HG23 VAL A 47 -3.654 -1.517 6.463 1.00 0.48 H new ATOM 738 N TYR A 48 -1.594 -0.121 9.289 1.00 0.34 N ATOM 739 CA TYR A 48 -1.248 1.295 9.235 1.00 0.36 C ATOM 740 C TYR A 48 0.012 1.503 8.401 1.00 0.38 C ATOM 741 O TYR A 48 0.972 0.737 8.507 1.00 0.39 O ATOM 742 CB TYR A 48 -1.056 1.837 10.652 1.00 0.41 C ATOM 743 CG TYR A 48 -1.200 3.338 10.784 1.00 0.55 C ATOM 744 CD1 TYR A 48 -0.111 4.174 10.578 1.00 0.91 C ATOM 745 CD2 TYR A 48 -2.421 3.919 11.092 1.00 1.47 C ATOM 746 CE1 TYR A 48 -0.237 5.546 10.672 1.00 1.00 C ATOM 747 CE2 TYR A 48 -2.554 5.290 11.193 1.00 1.79 C ATOM 748 CZ TYR A 48 -1.468 6.090 11.070 1.00 1.23 C ATOM 749 OH TYR A 48 -1.592 7.466 11.065 1.00 1.60 O ATOM 0 H TYR A 48 -0.872 -0.724 9.683 1.00 0.34 H new ATOM 0 HA TYR A 48 -2.062 1.842 8.760 1.00 0.36 H new ATOM 0 HB2 TYR A 48 -1.781 1.358 11.310 1.00 0.41 H new ATOM 0 HB3 TYR A 48 -0.066 1.549 11.005 1.00 0.41 H new ATOM 0 HD1 TYR A 48 0.851 3.744 10.340 1.00 0.91 H new ATOM 0 HD2 TYR A 48 -3.283 3.289 11.256 1.00 1.47 H new ATOM 0 HE1 TYR A 48 0.599 6.190 10.443 1.00 1.00 H new ATOM 0 HE2 TYR A 48 -3.526 5.725 11.370 1.00 1.79 H new ATOM 0 HH TYR A 48 -0.804 7.864 10.639 1.00 1.60 H new ATOM 759 N ILE A 49 0.004 2.543 7.581 1.00 0.42 N ATOM 760 CA ILE A 49 1.108 2.812 6.675 1.00 0.44 C ATOM 761 C ILE A 49 1.842 4.070 7.103 1.00 0.42 C ATOM 762 O ILE A 49 1.299 5.173 7.062 1.00 0.52 O ATOM 763 CB ILE A 49 0.635 2.979 5.215 1.00 0.52 C ATOM 764 CG1 ILE A 49 -0.127 1.732 4.744 1.00 0.62 C ATOM 765 CG2 ILE A 49 1.826 3.256 4.302 1.00 0.58 C ATOM 766 CD1 ILE A 49 0.707 0.467 4.734 1.00 1.20 C ATOM 0 H ILE A 49 -0.759 3.217 7.525 1.00 0.42 H new ATOM 0 HA ILE A 49 1.775 1.951 6.721 1.00 0.44 H new ATOM 0 HB ILE A 49 -0.045 3.830 5.168 1.00 0.52 H new ATOM 0 HG12 ILE A 49 -0.991 1.580 5.392 1.00 0.62 H new ATOM 0 HG13 ILE A 49 -0.510 1.911 3.739 1.00 0.62 H new ATOM 0 HG21 ILE A 49 1.478 3.372 3.275 1.00 0.58 H new ATOM 0 HG22 ILE A 49 2.324 4.171 4.622 1.00 0.58 H new ATOM 0 HG23 ILE A 49 2.527 2.423 4.356 1.00 0.58 H new ATOM 0 HD11 ILE A 49 0.097 -0.368 4.390 1.00 1.20 H new ATOM 0 HD12 ILE A 49 1.557 0.597 4.064 1.00 1.20 H new ATOM 0 HD13 ILE A 49 1.068 0.261 5.742 1.00 1.20 H new ATOM 778 N LYS A 50 3.072 3.886 7.528 1.00 0.36 N ATOM 779 CA LYS A 50 3.897 4.984 8.000 1.00 0.37 C ATOM 780 C LYS A 50 5.125 5.156 7.123 1.00 0.35 C ATOM 781 O LYS A 50 5.555 4.230 6.449 1.00 0.36 O ATOM 782 CB LYS A 50 4.336 4.767 9.451 1.00 0.44 C ATOM 783 CG LYS A 50 3.195 4.708 10.451 1.00 0.93 C ATOM 784 CD LYS A 50 3.709 4.792 11.878 1.00 0.88 C ATOM 785 CE LYS A 50 4.364 6.139 12.150 1.00 1.35 C ATOM 786 NZ LYS A 50 5.001 6.200 13.492 1.00 1.86 N ATOM 0 H LYS A 50 3.531 2.975 7.558 1.00 0.36 H new ATOM 0 HA LYS A 50 3.290 5.888 7.948 1.00 0.37 H new ATOM 0 HB2 LYS A 50 4.903 3.838 9.511 1.00 0.44 H new ATOM 0 HB3 LYS A 50 5.012 5.573 9.737 1.00 0.44 H new ATOM 0 HG2 LYS A 50 2.501 5.527 10.263 1.00 0.93 H new ATOM 0 HG3 LYS A 50 2.638 3.781 10.317 1.00 0.93 H new ATOM 0 HD2 LYS A 50 2.884 4.639 12.574 1.00 0.88 H new ATOM 0 HD3 LYS A 50 4.428 3.993 12.056 1.00 0.88 H new ATOM 0 HE2 LYS A 50 5.115 6.335 11.385 1.00 1.35 H new ATOM 0 HE3 LYS A 50 3.615 6.927 12.071 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 5.433 7.136 13.629 1.00 1.86 H new ATOM 0 HZ2 LYS A 50 4.281 6.040 14.225 1.00 1.86 H new ATOM 0 HZ3 LYS A 50 5.735 5.467 13.561 1.00 1.86 H new ATOM 800 N SER A 51 5.666 6.357 7.115 1.00 0.40 N ATOM 801 CA SER A 51 6.929 6.604 6.472 1.00 0.39 C ATOM 802 C SER A 51 8.034 6.213 7.412 1.00 0.39 C ATOM 803 O SER A 51 8.015 6.557 8.593 1.00 0.48 O ATOM 804 CB SER A 51 7.080 8.098 6.165 1.00 0.48 C ATOM 805 OG SER A 51 5.996 8.591 5.411 1.00 1.10 O ATOM 0 H SER A 51 5.244 7.177 7.550 1.00 0.40 H new ATOM 0 HA SER A 51 6.976 6.029 5.547 1.00 0.39 H new ATOM 0 HB2 SER A 51 7.156 8.655 7.099 1.00 0.48 H new ATOM 0 HB3 SER A 51 8.008 8.264 5.618 1.00 0.48 H new ATOM 0 HG SER A 51 5.250 7.957 5.457 1.00 1.10 H new ATOM 811 N THR A 52 8.980 5.463 6.884 1.00 0.35 N ATOM 812 CA THR A 52 10.207 5.244 7.577 1.00 0.41 C ATOM 813 C THR A 52 11.030 6.495 7.352 1.00 0.45 C ATOM 814 O THR A 52 10.819 7.500 8.028 1.00 0.53 O ATOM 815 CB THR A 52 10.934 3.991 7.064 1.00 0.43 C ATOM 816 OG1 THR A 52 9.978 2.951 6.822 1.00 0.62 O ATOM 817 CG2 THR A 52 11.956 3.512 8.076 1.00 0.77 C ATOM 0 H THR A 52 8.911 5.001 5.977 1.00 0.35 H new ATOM 0 HA THR A 52 10.036 5.064 8.638 1.00 0.41 H new ATOM 0 HB THR A 52 11.452 4.243 6.139 1.00 0.43 H new ATOM 0 HG1 THR A 52 9.631 3.032 5.909 1.00 0.62 H new ATOM 0 HG21 THR A 52 12.459 2.624 7.693 1.00 0.77 H new ATOM 0 HG22 THR A 52 12.691 4.298 8.251 1.00 0.77 H new ATOM 0 HG23 THR A 52 11.454 3.269 9.013 1.00 0.77 H new ATOM 825 N GLU A 53 11.963 6.463 6.434 1.00 0.46 N ATOM 826 CA GLU A 53 12.565 7.708 6.014 1.00 0.53 C ATOM 827 C GLU A 53 11.781 8.278 4.826 1.00 0.44 C ATOM 828 O GLU A 53 11.426 9.456 4.797 1.00 0.47 O ATOM 829 CB GLU A 53 14.026 7.478 5.625 1.00 0.68 C ATOM 830 CG GLU A 53 14.885 8.720 5.750 1.00 1.43 C ATOM 831 CD GLU A 53 14.887 9.264 7.162 1.00 1.83 C ATOM 832 OE1 GLU A 53 15.707 8.795 7.983 1.00 2.11 O ATOM 833 OE2 GLU A 53 14.063 10.155 7.460 1.00 2.55 O ATOM 0 H GLU A 53 12.314 5.622 5.976 1.00 0.46 H new ATOM 0 HA GLU A 53 12.534 8.422 6.837 1.00 0.53 H new ATOM 0 HB2 GLU A 53 14.443 6.692 6.255 1.00 0.68 H new ATOM 0 HB3 GLU A 53 14.068 7.118 4.597 1.00 0.68 H new ATOM 0 HG2 GLU A 53 15.906 8.487 5.449 1.00 1.43 H new ATOM 0 HG3 GLU A 53 14.518 9.486 5.066 1.00 1.43 H new ATOM 840 N THR A 54 11.518 7.402 3.863 1.00 0.36 N ATOM 841 CA THR A 54 10.778 7.724 2.646 1.00 0.30 C ATOM 842 C THR A 54 9.426 7.014 2.532 1.00 0.31 C ATOM 843 O THR A 54 8.933 6.836 1.425 1.00 0.38 O ATOM 844 CB THR A 54 11.629 7.392 1.416 1.00 0.40 C ATOM 845 OG1 THR A 54 12.249 6.113 1.598 1.00 1.13 O ATOM 846 CG2 THR A 54 12.691 8.458 1.194 1.00 0.93 C ATOM 0 H THR A 54 11.819 6.428 3.906 1.00 0.36 H new ATOM 0 HA THR A 54 10.565 8.792 2.698 1.00 0.30 H new ATOM 0 HB THR A 54 10.984 7.364 0.538 1.00 0.40 H new ATOM 0 HG1 THR A 54 13.139 6.119 1.188 1.00 1.13 H new ATOM 0 HG21 THR A 54 13.284 8.203 0.316 1.00 0.93 H new ATOM 0 HG22 THR A 54 12.210 9.424 1.039 1.00 0.93 H new ATOM 0 HG23 THR A 54 13.341 8.512 2.068 1.00 0.93 H new ATOM 854 N GLY A 55 8.819 6.580 3.624 1.00 0.33 N ATOM 855 CA GLY A 55 7.966 5.415 3.489 1.00 0.40 C ATOM 856 C GLY A 55 6.515 5.637 3.127 1.00 0.46 C ATOM 857 O GLY A 55 5.908 4.682 2.667 1.00 0.56 O ATOM 0 H GLY A 55 8.892 6.986 4.557 1.00 0.33 H new ATOM 0 HA2 GLY A 55 8.404 4.766 2.731 1.00 0.40 H new ATOM 0 HA3 GLY A 55 7.995 4.868 4.432 1.00 0.40 H new ATOM 861 N GLN A 56 5.953 6.839 3.342 1.00 0.43 N ATOM 862 CA GLN A 56 4.720 7.290 2.627 1.00 0.54 C ATOM 863 C GLN A 56 3.862 8.299 3.381 1.00 0.56 C ATOM 864 O GLN A 56 3.595 8.149 4.573 1.00 0.63 O ATOM 865 CB GLN A 56 3.780 6.155 2.239 1.00 0.81 C ATOM 866 CG GLN A 56 3.906 5.763 0.786 1.00 0.91 C ATOM 867 CD GLN A 56 2.624 5.193 0.255 1.00 1.20 C ATOM 868 OE1 GLN A 56 1.744 6.084 -0.168 1.00 2.18 O flip ATOM 869 NE2 GLN A 56 2.411 3.984 0.249 1.00 1.06 N flip ATOM 0 H GLN A 56 6.323 7.523 4.002 1.00 0.43 H new ATOM 0 HA GLN A 56 5.155 7.761 1.746 1.00 0.54 H new ATOM 0 HB2 GLN A 56 3.988 5.287 2.864 1.00 0.81 H new ATOM 0 HB3 GLN A 56 2.752 6.455 2.442 1.00 0.81 H new ATOM 0 HG2 GLN A 56 4.189 6.635 0.196 1.00 0.91 H new ATOM 0 HG3 GLN A 56 4.705 5.030 0.674 1.00 0.91 H new ATOM 0 HE21 GLN A 56 3.125 3.339 0.587 1.00 1.06 H new ATOM 0 HE22 GLN A 56 1.520 3.625 -0.094 1.00 1.06 H new ATOM 878 N TYR A 57 3.339 9.268 2.636 1.00 0.57 N ATOM 879 CA TYR A 57 2.211 10.058 3.106 1.00 0.62 C ATOM 880 C TYR A 57 0.988 9.438 2.523 1.00 0.59 C ATOM 881 O TYR A 57 0.304 10.039 1.706 1.00 0.67 O ATOM 882 CB TYR A 57 2.299 11.574 2.753 1.00 0.76 C ATOM 883 CG TYR A 57 1.084 12.412 3.136 1.00 1.77 C ATOM 884 CD1 TYR A 57 0.800 12.717 4.460 1.00 2.17 C ATOM 885 CD2 TYR A 57 0.229 12.911 2.157 1.00 2.59 C ATOM 886 CE1 TYR A 57 -0.296 13.484 4.800 1.00 3.20 C ATOM 887 CE2 TYR A 57 -0.871 13.680 2.490 1.00 3.64 C ATOM 888 CZ TYR A 57 -1.128 13.963 3.815 1.00 3.91 C ATOM 889 OH TYR A 57 -2.223 14.729 4.153 1.00 4.98 O ATOM 0 H TYR A 57 3.678 9.523 1.708 1.00 0.57 H new ATOM 0 HA TYR A 57 2.198 10.043 4.196 1.00 0.62 H new ATOM 0 HB2 TYR A 57 3.177 11.993 3.246 1.00 0.76 H new ATOM 0 HB3 TYR A 57 2.460 11.670 1.679 1.00 0.76 H new ATOM 0 HD1 TYR A 57 1.449 12.347 5.240 1.00 2.17 H new ATOM 0 HD2 TYR A 57 0.429 12.693 1.118 1.00 2.59 H new ATOM 0 HE1 TYR A 57 -0.500 13.707 5.837 1.00 3.20 H new ATOM 0 HE2 TYR A 57 -1.525 14.057 1.717 1.00 3.64 H new ATOM 0 HH TYR A 57 -2.705 14.988 3.340 1.00 4.98 H new ATOM 899 N LEU A 58 0.700 8.219 2.941 1.00 0.55 N ATOM 900 CA LEU A 58 -0.324 7.481 2.271 1.00 0.58 C ATOM 901 C LEU A 58 -1.649 8.058 2.645 1.00 0.56 C ATOM 902 O LEU A 58 -2.060 8.089 3.800 1.00 0.72 O ATOM 903 CB LEU A 58 -0.275 5.994 2.580 1.00 0.70 C ATOM 904 CG LEU A 58 -0.590 5.128 1.369 1.00 1.32 C ATOM 905 CD1 LEU A 58 -0.370 3.657 1.670 1.00 1.59 C ATOM 906 CD2 LEU A 58 -2.009 5.356 0.874 1.00 1.85 C ATOM 0 H LEU A 58 1.153 7.740 3.720 1.00 0.55 H new ATOM 0 HA LEU A 58 -0.162 7.569 1.197 1.00 0.58 H new ATOM 0 HB2 LEU A 58 0.716 5.738 2.956 1.00 0.70 H new ATOM 0 HB3 LEU A 58 -0.985 5.770 3.376 1.00 0.70 H new ATOM 0 HG LEU A 58 0.098 5.424 0.578 1.00 1.32 H new ATOM 0 HD11 LEU A 58 -0.604 3.066 0.785 1.00 1.59 H new ATOM 0 HD12 LEU A 58 0.671 3.495 1.950 1.00 1.59 H new ATOM 0 HD13 LEU A 58 -1.019 3.353 2.491 1.00 1.59 H new ATOM 0 HD21 LEU A 58 -2.199 4.721 0.009 1.00 1.85 H new ATOM 0 HD22 LEU A 58 -2.715 5.109 1.667 1.00 1.85 H new ATOM 0 HD23 LEU A 58 -2.132 6.401 0.591 1.00 1.85 H new ATOM 918 N ALA A 59 -2.273 8.553 1.624 1.00 0.47 N ATOM 919 CA ALA A 59 -3.436 9.362 1.755 1.00 0.46 C ATOM 920 C ALA A 59 -4.434 8.957 0.702 1.00 0.46 C ATOM 921 O ALA A 59 -4.259 9.243 -0.483 1.00 0.51 O ATOM 922 CB ALA A 59 -3.044 10.828 1.615 1.00 0.54 C ATOM 0 H ALA A 59 -1.980 8.402 0.659 1.00 0.47 H new ATOM 0 HA ALA A 59 -3.893 9.224 2.735 1.00 0.46 H new ATOM 0 HB1 ALA A 59 -3.931 11.453 1.715 1.00 0.54 H new ATOM 0 HB2 ALA A 59 -2.327 11.089 2.394 1.00 0.54 H new ATOM 0 HB3 ALA A 59 -2.593 10.992 0.637 1.00 0.54 H new ATOM 928 N MET A 60 -5.461 8.257 1.119 1.00 0.48 N ATOM 929 CA MET A 60 -6.541 7.951 0.214 1.00 0.52 C ATOM 930 C MET A 60 -7.504 9.123 0.166 1.00 0.55 C ATOM 931 O MET A 60 -8.095 9.490 1.185 1.00 0.74 O ATOM 932 CB MET A 60 -7.285 6.712 0.700 1.00 0.66 C ATOM 933 CG MET A 60 -6.516 5.418 0.540 1.00 1.76 C ATOM 934 SD MET A 60 -7.555 3.976 0.832 1.00 2.80 S ATOM 935 CE MET A 60 -8.278 4.392 2.418 1.00 3.74 C ATOM 0 H MET A 60 -5.571 7.893 2.065 1.00 0.48 H new ATOM 0 HA MET A 60 -6.135 7.764 -0.780 1.00 0.52 H new ATOM 0 HB2 MET A 60 -7.536 6.843 1.752 1.00 0.66 H new ATOM 0 HB3 MET A 60 -8.226 6.631 0.155 1.00 0.66 H new ATOM 0 HG2 MET A 60 -6.098 5.366 -0.465 1.00 1.76 H new ATOM 0 HG3 MET A 60 -5.676 5.407 1.235 1.00 1.76 H new ATOM 0 HE1 MET A 60 -8.789 3.520 2.825 1.00 3.74 H new ATOM 0 HE2 MET A 60 -7.492 4.705 3.105 1.00 3.74 H new ATOM 0 HE3 MET A 60 -8.993 5.205 2.290 1.00 3.74 H new ATOM 945 N ASP A 61 -7.670 9.710 -1.014 1.00 0.51 N ATOM 946 CA ASP A 61 -8.608 10.811 -1.165 1.00 0.56 C ATOM 947 C ASP A 61 -9.744 10.397 -2.040 1.00 0.56 C ATOM 948 O ASP A 61 -9.547 9.810 -3.110 1.00 0.64 O ATOM 949 CB ASP A 61 -7.971 12.071 -1.718 1.00 0.71 C ATOM 950 CG ASP A 61 -9.008 13.067 -2.206 1.00 1.02 C ATOM 951 OD1 ASP A 61 -9.483 13.883 -1.388 1.00 1.58 O ATOM 952 OD2 ASP A 61 -9.379 13.017 -3.398 1.00 1.34 O ATOM 0 H ASP A 61 -7.175 9.446 -1.866 1.00 0.51 H new ATOM 0 HA ASP A 61 -8.967 11.051 -0.164 1.00 0.56 H new ATOM 0 HB2 ASP A 61 -7.358 12.536 -0.946 1.00 0.71 H new ATOM 0 HB3 ASP A 61 -7.305 11.809 -2.540 1.00 0.71 H new ATOM 957 N THR A 62 -10.934 10.654 -1.536 1.00 0.65 N ATOM 958 CA THR A 62 -12.166 10.222 -2.161 1.00 0.83 C ATOM 959 C THR A 62 -12.284 8.701 -2.051 1.00 0.87 C ATOM 960 O THR A 62 -13.376 8.143 -2.138 1.00 1.31 O ATOM 961 CB THR A 62 -12.214 10.680 -3.626 1.00 0.97 C ATOM 962 OG1 THR A 62 -11.941 12.088 -3.701 1.00 1.47 O ATOM 963 CG2 THR A 62 -13.570 10.392 -4.239 1.00 1.55 C ATOM 0 H THR A 62 -11.074 11.175 -0.670 1.00 0.65 H new ATOM 0 HA THR A 62 -13.013 10.676 -1.647 1.00 0.83 H new ATOM 0 HB THR A 62 -11.458 10.128 -4.184 1.00 0.97 H new ATOM 0 HG1 THR A 62 -10.980 12.241 -3.586 1.00 1.47 H new ATOM 0 HG21 THR A 62 -13.578 10.726 -5.277 1.00 1.55 H new ATOM 0 HG22 THR A 62 -13.766 9.321 -4.201 1.00 1.55 H new ATOM 0 HG23 THR A 62 -14.342 10.923 -3.681 1.00 1.55 H new ATOM 971 N ASP A 63 -11.113 8.080 -1.866 1.00 0.78 N ATOM 972 CA ASP A 63 -10.930 6.668 -1.581 1.00 0.88 C ATOM 973 C ASP A 63 -10.790 5.942 -2.903 1.00 0.87 C ATOM 974 O ASP A 63 -10.850 4.720 -3.001 1.00 0.96 O ATOM 975 CB ASP A 63 -12.077 6.149 -0.729 1.00 1.05 C ATOM 976 CG ASP A 63 -11.765 4.864 -0.026 1.00 1.19 C ATOM 977 OD1 ASP A 63 -10.575 4.637 0.275 1.00 1.54 O ATOM 978 OD2 ASP A 63 -12.689 4.063 0.174 1.00 1.42 O ATOM 0 H ASP A 63 -10.227 8.583 -1.915 1.00 0.78 H new ATOM 0 HA ASP A 63 -10.026 6.494 -0.998 1.00 0.88 H new ATOM 0 HB2 ASP A 63 -12.340 6.904 0.011 1.00 1.05 H new ATOM 0 HB3 ASP A 63 -12.953 6.004 -1.362 1.00 1.05 H new ATOM 983 N GLY A 64 -10.555 6.756 -3.918 1.00 0.82 N ATOM 984 CA GLY A 64 -10.493 6.278 -5.274 1.00 0.89 C ATOM 985 C GLY A 64 -9.092 6.316 -5.824 1.00 0.90 C ATOM 986 O GLY A 64 -8.649 5.399 -6.491 1.00 1.17 O ATOM 0 H GLY A 64 -10.404 7.760 -3.819 1.00 0.82 H new ATOM 0 HA2 GLY A 64 -10.871 5.256 -5.315 1.00 0.89 H new ATOM 0 HA3 GLY A 64 -11.145 6.885 -5.902 1.00 0.89 H new ATOM 990 N LEU A 65 -8.387 7.386 -5.582 1.00 0.72 N ATOM 991 CA LEU A 65 -7.006 7.455 -6.007 1.00 0.71 C ATOM 992 C LEU A 65 -6.105 7.673 -4.800 1.00 0.67 C ATOM 993 O LEU A 65 -6.373 8.536 -3.947 1.00 0.79 O ATOM 994 CB LEU A 65 -6.792 8.536 -7.074 1.00 0.74 C ATOM 995 CG LEU A 65 -7.326 8.224 -8.488 1.00 1.41 C ATOM 996 CD1 LEU A 65 -8.844 8.103 -8.522 1.00 2.03 C ATOM 997 CD2 LEU A 65 -6.859 9.288 -9.471 1.00 2.04 C ATOM 0 H LEU A 65 -8.734 8.215 -5.100 1.00 0.72 H new ATOM 0 HA LEU A 65 -6.741 6.505 -6.471 1.00 0.71 H new ATOM 0 HB2 LEU A 65 -7.263 9.456 -6.727 1.00 0.74 H new ATOM 0 HB3 LEU A 65 -5.723 8.734 -7.149 1.00 0.74 H new ATOM 0 HG LEU A 65 -6.921 7.255 -8.780 1.00 1.41 H new ATOM 0 HD11 LEU A 65 -9.169 7.883 -9.539 1.00 2.03 H new ATOM 0 HD12 LEU A 65 -9.160 7.298 -7.858 1.00 2.03 H new ATOM 0 HD13 LEU A 65 -9.291 9.041 -8.193 1.00 2.03 H new ATOM 0 HD21 LEU A 65 -7.242 9.058 -10.465 1.00 2.04 H new ATOM 0 HD22 LEU A 65 -7.231 10.263 -9.156 1.00 2.04 H new ATOM 0 HD23 LEU A 65 -5.769 9.306 -9.497 1.00 2.04 H new ATOM 1009 N LEU A 66 -5.069 6.848 -4.696 1.00 0.65 N ATOM 1010 CA LEU A 66 -4.201 6.873 -3.519 1.00 0.68 C ATOM 1011 C LEU A 66 -2.850 7.541 -3.811 1.00 0.63 C ATOM 1012 O LEU A 66 -2.059 7.083 -4.645 1.00 0.73 O ATOM 1013 CB LEU A 66 -3.977 5.446 -3.028 1.00 0.90 C ATOM 1014 CG LEU A 66 -4.993 4.434 -3.550 1.00 0.79 C ATOM 1015 CD1 LEU A 66 -4.434 3.029 -3.467 1.00 1.55 C ATOM 1016 CD2 LEU A 66 -6.315 4.527 -2.804 1.00 1.56 C ATOM 0 H LEU A 66 -4.809 6.160 -5.403 1.00 0.65 H new ATOM 0 HA LEU A 66 -4.697 7.465 -2.749 1.00 0.68 H new ATOM 0 HB2 LEU A 66 -2.978 5.125 -3.324 1.00 0.90 H new ATOM 0 HB3 LEU A 66 -4.004 5.441 -1.938 1.00 0.90 H new ATOM 0 HG LEU A 66 -5.188 4.674 -4.595 1.00 0.79 H new ATOM 0 HD11 LEU A 66 -5.172 2.321 -3.843 1.00 1.55 H new ATOM 0 HD12 LEU A 66 -3.527 2.962 -4.068 1.00 1.55 H new ATOM 0 HD13 LEU A 66 -4.200 2.791 -2.429 1.00 1.55 H new ATOM 0 HD21 LEU A 66 -7.012 3.791 -3.205 1.00 1.56 H new ATOM 0 HD22 LEU A 66 -6.150 4.331 -1.745 1.00 1.56 H new ATOM 0 HD23 LEU A 66 -6.733 5.526 -2.927 1.00 1.56 H new ATOM 1028 N TYR A 67 -2.566 8.612 -3.104 1.00 0.62 N ATOM 1029 CA TYR A 67 -1.271 9.261 -3.259 1.00 0.63 C ATOM 1030 C TYR A 67 -0.574 9.324 -1.916 1.00 0.70 C ATOM 1031 O TYR A 67 -1.220 9.529 -0.911 1.00 0.98 O ATOM 1032 CB TYR A 67 -1.460 10.675 -3.832 1.00 0.91 C ATOM 1033 CG TYR A 67 -2.313 11.585 -2.961 1.00 0.72 C ATOM 1034 CD1 TYR A 67 -3.705 11.513 -2.984 1.00 0.75 C ATOM 1035 CD2 TYR A 67 -1.722 12.515 -2.109 1.00 0.84 C ATOM 1036 CE1 TYR A 67 -4.476 12.337 -2.186 1.00 0.95 C ATOM 1037 CE2 TYR A 67 -2.490 13.342 -1.310 1.00 1.16 C ATOM 1038 CZ TYR A 67 -3.865 13.249 -1.351 1.00 1.21 C ATOM 1039 OH TYR A 67 -4.632 14.070 -0.552 1.00 1.64 O ATOM 0 H TYR A 67 -3.194 9.049 -2.429 1.00 0.62 H new ATOM 0 HA TYR A 67 -0.656 8.686 -3.951 1.00 0.63 H new ATOM 0 HB2 TYR A 67 -0.481 11.134 -3.970 1.00 0.91 H new ATOM 0 HB3 TYR A 67 -1.918 10.598 -4.818 1.00 0.91 H new ATOM 0 HD1 TYR A 67 -4.189 10.801 -3.636 1.00 0.75 H new ATOM 0 HD2 TYR A 67 -0.645 12.592 -2.072 1.00 0.84 H new ATOM 0 HE1 TYR A 67 -5.553 12.267 -2.216 1.00 0.95 H new ATOM 0 HE2 TYR A 67 -2.014 14.058 -0.656 1.00 1.16 H new ATOM 0 HH TYR A 67 -4.047 14.652 -0.024 1.00 1.64 H new ATOM 1049 N GLY A 68 0.744 9.215 -1.901 1.00 0.66 N ATOM 1050 CA GLY A 68 1.443 9.203 -0.635 1.00 0.80 C ATOM 1051 C GLY A 68 2.924 9.429 -0.740 1.00 0.81 C ATOM 1052 O GLY A 68 3.586 8.775 -1.536 1.00 0.85 O ATOM 0 H GLY A 68 1.335 9.136 -2.729 1.00 0.66 H new ATOM 0 HA2 GLY A 68 1.016 9.971 0.009 1.00 0.80 H new ATOM 0 HA3 GLY A 68 1.268 8.244 -0.147 1.00 0.80 H new ATOM 1056 N SER A 69 3.461 10.343 0.061 1.00 0.91 N ATOM 1057 CA SER A 69 4.929 10.474 0.128 1.00 1.08 C ATOM 1058 C SER A 69 5.555 10.895 1.483 1.00 1.38 C ATOM 1059 O SER A 69 6.397 10.176 2.009 1.00 1.62 O ATOM 1060 CB SER A 69 5.383 11.471 -0.936 1.00 1.08 C ATOM 1061 OG SER A 69 4.845 11.143 -2.206 1.00 1.39 O ATOM 0 H SER A 69 2.935 10.985 0.654 1.00 0.91 H new ATOM 0 HA SER A 69 5.287 9.457 -0.032 1.00 1.08 H new ATOM 0 HB2 SER A 69 5.070 12.476 -0.654 1.00 1.08 H new ATOM 0 HB3 SER A 69 6.472 11.479 -0.990 1.00 1.08 H new ATOM 0 HG SER A 69 5.447 11.465 -2.909 1.00 1.39 H new ATOM 1067 N GLN A 70 5.140 12.017 2.057 1.00 1.49 N ATOM 1068 CA GLN A 70 5.924 12.624 3.157 1.00 1.85 C ATOM 1069 C GLN A 70 5.643 12.106 4.586 1.00 1.93 C ATOM 1070 O GLN A 70 6.564 11.844 5.351 1.00 2.19 O ATOM 1071 CB GLN A 70 5.699 14.136 3.143 1.00 2.07 C ATOM 1072 CG GLN A 70 6.214 14.827 1.894 1.00 2.63 C ATOM 1073 CD GLN A 70 5.783 16.277 1.819 1.00 3.22 C ATOM 1074 OE1 GLN A 70 4.709 16.644 2.298 1.00 3.66 O ATOM 1075 NE2 GLN A 70 6.623 17.111 1.235 1.00 3.79 N ATOM 0 H GLN A 70 4.293 12.523 1.799 1.00 1.49 H new ATOM 0 HA GLN A 70 6.953 12.331 2.950 1.00 1.85 H new ATOM 0 HB2 GLN A 70 4.632 14.335 3.241 1.00 2.07 H new ATOM 0 HB3 GLN A 70 6.186 14.573 4.014 1.00 2.07 H new ATOM 0 HG2 GLN A 70 7.302 14.773 1.874 1.00 2.63 H new ATOM 0 HG3 GLN A 70 5.852 14.297 1.013 1.00 2.63 H new ATOM 0 HE21 GLN A 70 7.502 16.764 0.852 1.00 3.79 H new ATOM 0 HE22 GLN A 70 6.393 18.102 1.167 1.00 3.79 H new ATOM 1084 N THR A 71 4.376 11.995 4.936 1.00 1.75 N ATOM 1085 CA THR A 71 3.969 11.832 6.353 1.00 1.78 C ATOM 1086 C THR A 71 2.896 10.750 6.511 1.00 1.56 C ATOM 1087 O THR A 71 2.145 10.532 5.602 1.00 1.63 O ATOM 1088 CB THR A 71 3.430 13.183 6.881 1.00 1.94 C ATOM 1089 OG1 THR A 71 4.317 14.237 6.483 1.00 2.26 O ATOM 1090 CG2 THR A 71 3.300 13.193 8.397 1.00 2.31 C ATOM 0 H THR A 71 3.600 12.012 4.275 1.00 1.75 H new ATOM 0 HA THR A 71 4.841 11.520 6.928 1.00 1.78 H new ATOM 0 HB THR A 71 2.437 13.331 6.456 1.00 1.94 H new ATOM 0 HG1 THR A 71 3.977 15.094 6.815 1.00 2.26 H new ATOM 0 HG21 THR A 71 2.918 14.161 8.723 1.00 2.31 H new ATOM 0 HG22 THR A 71 2.611 12.408 8.708 1.00 2.31 H new ATOM 0 HG23 THR A 71 4.277 13.018 8.847 1.00 2.31 H new ATOM 1098 N PRO A 72 2.705 10.095 7.653 1.00 1.41 N ATOM 1099 CA PRO A 72 1.576 9.200 7.759 1.00 1.20 C ATOM 1100 C PRO A 72 0.507 9.689 8.733 1.00 1.04 C ATOM 1101 O PRO A 72 0.655 9.611 9.953 1.00 1.06 O ATOM 1102 CB PRO A 72 2.244 7.968 8.334 1.00 1.31 C ATOM 1103 CG PRO A 72 3.376 8.501 9.190 1.00 1.49 C ATOM 1104 CD PRO A 72 3.597 9.954 8.798 1.00 1.53 C ATOM 0 HA PRO A 72 1.052 9.073 6.812 1.00 1.20 H new ATOM 0 HB2 PRO A 72 1.544 7.379 8.927 1.00 1.31 H new ATOM 0 HB3 PRO A 72 2.619 7.317 7.544 1.00 1.31 H new ATOM 0 HG2 PRO A 72 3.127 8.423 10.248 1.00 1.49 H new ATOM 0 HG3 PRO A 72 4.284 7.918 9.032 1.00 1.49 H new ATOM 0 HD2 PRO A 72 3.337 10.639 9.605 1.00 1.53 H new ATOM 0 HD3 PRO A 72 4.636 10.152 8.534 1.00 1.53 H new ATOM 1112 N ASN A 73 -0.569 10.216 8.162 1.00 0.94 N ATOM 1113 CA ASN A 73 -1.750 10.570 8.924 1.00 0.86 C ATOM 1114 C ASN A 73 -2.614 9.364 8.832 1.00 0.68 C ATOM 1115 O ASN A 73 -2.224 8.410 8.146 1.00 0.71 O ATOM 1116 CB ASN A 73 -2.464 11.792 8.342 1.00 0.98 C ATOM 1117 CG ASN A 73 -1.618 13.054 8.348 1.00 1.57 C ATOM 1118 OD1 ASN A 73 -0.695 13.206 9.151 1.00 2.21 O ATOM 1119 ND2 ASN A 73 -1.954 13.983 7.469 1.00 2.17 N ATOM 0 H ASN A 73 -0.643 10.407 7.163 1.00 0.94 H new ATOM 0 HA ASN A 73 -1.503 10.842 9.950 1.00 0.86 H new ATOM 0 HB2 ASN A 73 -2.765 11.572 7.318 1.00 0.98 H new ATOM 0 HB3 ASN A 73 -3.376 11.974 8.911 1.00 0.98 H new ATOM 0 HD21 ASN A 73 -1.443 14.865 7.438 1.00 2.17 H new ATOM 0 HD22 ASN A 73 -2.725 13.818 6.822 1.00 2.17 H new ATOM 1126 N GLU A 74 -3.800 9.329 9.390 1.00 0.59 N ATOM 1127 CA GLU A 74 -4.557 8.231 8.932 1.00 0.47 C ATOM 1128 C GLU A 74 -5.603 8.729 7.974 1.00 0.52 C ATOM 1129 O GLU A 74 -6.687 9.201 8.303 1.00 0.64 O ATOM 1130 CB GLU A 74 -5.172 7.476 10.117 1.00 0.49 C ATOM 1131 CG GLU A 74 -5.740 8.383 11.198 1.00 1.15 C ATOM 1132 CD GLU A 74 -6.069 7.635 12.475 1.00 1.51 C ATOM 1133 OE1 GLU A 74 -5.165 7.484 13.330 1.00 2.11 O ATOM 1134 OE2 GLU A 74 -7.236 7.216 12.645 1.00 1.84 O ATOM 0 H GLU A 74 -4.209 9.966 10.074 1.00 0.59 H new ATOM 0 HA GLU A 74 -3.916 7.524 8.405 1.00 0.47 H new ATOM 0 HB2 GLU A 74 -5.965 6.826 9.748 1.00 0.49 H new ATOM 0 HB3 GLU A 74 -4.412 6.832 10.559 1.00 0.49 H new ATOM 0 HG2 GLU A 74 -5.022 9.172 11.419 1.00 1.15 H new ATOM 0 HG3 GLU A 74 -6.641 8.868 10.823 1.00 1.15 H new ATOM 1141 N GLU A 75 -5.196 8.506 6.754 1.00 0.49 N ATOM 1142 CA GLU A 75 -5.975 8.251 5.596 1.00 0.52 C ATOM 1143 C GLU A 75 -5.397 6.985 5.008 1.00 0.40 C ATOM 1144 O GLU A 75 -5.996 6.336 4.152 1.00 0.47 O ATOM 1145 CB GLU A 75 -5.799 9.384 4.611 1.00 0.69 C ATOM 1146 CG GLU A 75 -6.261 10.719 5.152 1.00 0.89 C ATOM 1147 CD GLU A 75 -5.147 11.539 5.763 1.00 1.40 C ATOM 1148 OE1 GLU A 75 -4.239 11.959 5.025 1.00 2.16 O ATOM 1149 OE2 GLU A 75 -5.199 11.796 6.984 1.00 1.69 O ATOM 0 H GLU A 75 -4.200 8.500 6.535 1.00 0.49 H new ATOM 0 HA GLU A 75 -7.037 8.158 5.824 1.00 0.52 H new ATOM 0 HB2 GLU A 75 -4.747 9.456 4.333 1.00 0.69 H new ATOM 0 HB3 GLU A 75 -6.354 9.156 3.701 1.00 0.69 H new ATOM 0 HG2 GLU A 75 -6.721 11.290 4.345 1.00 0.89 H new ATOM 0 HG3 GLU A 75 -7.032 10.551 5.904 1.00 0.89 H new ATOM 1156 N CYS A 76 -4.155 6.693 5.449 1.00 0.37 N ATOM 1157 CA CYS A 76 -3.448 5.496 5.033 1.00 0.47 C ATOM 1158 C CYS A 76 -4.014 4.249 5.709 1.00 0.40 C ATOM 1159 O CYS A 76 -3.576 3.136 5.436 1.00 0.48 O ATOM 1160 CB CYS A 76 -1.968 5.619 5.394 1.00 0.68 C ATOM 1161 SG CYS A 76 -1.638 5.577 7.171 1.00 1.40 S ATOM 0 H CYS A 76 -3.632 7.283 6.096 1.00 0.37 H new ATOM 0 HA CYS A 76 -3.571 5.397 3.955 1.00 0.47 H new ATOM 0 HB2 CYS A 76 -1.419 4.809 4.914 1.00 0.68 H new ATOM 0 HB3 CYS A 76 -1.581 6.552 4.985 1.00 0.68 H new ATOM 0 HG CYS A 76 -0.354 5.571 7.374 1.00 1.40 H new ATOM 1167 N LEU A 77 -4.981 4.434 6.591 1.00 0.37 N ATOM 1168 CA LEU A 77 -5.476 3.342 7.390 1.00 0.46 C ATOM 1169 C LEU A 77 -6.473 2.544 6.584 1.00 0.39 C ATOM 1170 O LEU A 77 -7.464 3.085 6.073 1.00 0.40 O ATOM 1171 CB LEU A 77 -6.131 3.869 8.670 1.00 0.66 C ATOM 1172 CG LEU A 77 -5.620 3.256 9.977 1.00 0.96 C ATOM 1173 CD1 LEU A 77 -6.308 3.902 11.169 1.00 1.63 C ATOM 1174 CD2 LEU A 77 -5.841 1.751 9.991 1.00 1.59 C ATOM 0 H LEU A 77 -5.434 5.331 6.767 1.00 0.37 H new ATOM 0 HA LEU A 77 -4.642 2.699 7.673 1.00 0.46 H new ATOM 0 HB2 LEU A 77 -5.984 4.948 8.714 1.00 0.66 H new ATOM 0 HB3 LEU A 77 -7.205 3.696 8.604 1.00 0.66 H new ATOM 0 HG LEU A 77 -4.549 3.445 10.046 1.00 0.96 H new ATOM 0 HD11 LEU A 77 -5.934 3.456 12.091 1.00 1.63 H new ATOM 0 HD12 LEU A 77 -6.100 4.972 11.173 1.00 1.63 H new ATOM 0 HD13 LEU A 77 -7.384 3.742 11.099 1.00 1.63 H new ATOM 0 HD21 LEU A 77 -5.470 1.338 10.929 1.00 1.59 H new ATOM 0 HD22 LEU A 77 -6.906 1.539 9.897 1.00 1.59 H new ATOM 0 HD23 LEU A 77 -5.305 1.297 9.157 1.00 1.59 H new ATOM 1186 N PHE A 78 -6.211 1.262 6.453 1.00 0.39 N ATOM 1187 CA PHE A 78 -7.134 0.392 5.774 1.00 0.39 C ATOM 1188 C PHE A 78 -7.403 -0.809 6.656 1.00 0.36 C ATOM 1189 O PHE A 78 -6.635 -1.096 7.578 1.00 0.41 O ATOM 1190 CB PHE A 78 -6.608 -0.073 4.402 1.00 0.53 C ATOM 1191 CG PHE A 78 -5.631 0.862 3.738 1.00 0.56 C ATOM 1192 CD1 PHE A 78 -6.013 2.135 3.335 1.00 0.66 C ATOM 1193 CD2 PHE A 78 -4.322 0.473 3.539 1.00 0.65 C ATOM 1194 CE1 PHE A 78 -5.099 2.992 2.743 1.00 0.81 C ATOM 1195 CE2 PHE A 78 -3.410 1.321 2.952 1.00 0.78 C ATOM 1196 CZ PHE A 78 -3.862 2.598 2.475 1.00 0.84 C ATOM 0 H PHE A 78 -5.371 0.805 6.807 1.00 0.39 H new ATOM 0 HA PHE A 78 -8.051 0.950 5.587 1.00 0.39 H new ATOM 0 HB2 PHE A 78 -6.130 -1.045 4.525 1.00 0.53 H new ATOM 0 HB3 PHE A 78 -7.458 -0.218 3.735 1.00 0.53 H new ATOM 0 HD1 PHE A 78 -7.032 2.460 3.484 1.00 0.66 H new ATOM 0 HD2 PHE A 78 -4.008 -0.513 3.849 1.00 0.65 H new ATOM 0 HE1 PHE A 78 -5.400 3.999 2.495 1.00 0.81 H new ATOM 0 HE2 PHE A 78 -2.374 1.031 2.852 1.00 0.78 H new ATOM 0 HZ PHE A 78 -3.200 3.232 1.903 1.00 0.84 H new ATOM 1206 N LEU A 79 -8.488 -1.499 6.387 1.00 0.37 N ATOM 1207 CA LEU A 79 -8.827 -2.686 7.139 1.00 0.37 C ATOM 1208 C LEU A 79 -8.274 -3.883 6.390 1.00 0.35 C ATOM 1209 O LEU A 79 -8.397 -3.972 5.168 1.00 0.35 O ATOM 1210 CB LEU A 79 -10.347 -2.778 7.367 1.00 0.44 C ATOM 1211 CG LEU A 79 -10.834 -3.879 8.323 1.00 0.55 C ATOM 1212 CD1 LEU A 79 -12.189 -3.511 8.904 1.00 1.02 C ATOM 1213 CD2 LEU A 79 -10.932 -5.223 7.613 1.00 1.09 C ATOM 0 H LEU A 79 -9.152 -1.258 5.651 1.00 0.37 H new ATOM 0 HA LEU A 79 -8.382 -2.654 8.133 1.00 0.37 H new ATOM 0 HB2 LEU A 79 -10.693 -1.818 7.749 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -10.828 -2.929 6.401 1.00 0.44 H new ATOM 0 HG LEU A 79 -10.105 -3.966 9.128 1.00 0.55 H new ATOM 0 HD11 LEU A 79 -12.522 -4.299 9.579 1.00 1.02 H new ATOM 0 HD12 LEU A 79 -12.107 -2.573 9.454 1.00 1.02 H new ATOM 0 HD13 LEU A 79 -12.912 -3.396 8.096 1.00 1.02 H new ATOM 0 HD21 LEU A 79 -11.279 -5.981 8.315 1.00 1.09 H new ATOM 0 HD22 LEU A 79 -11.636 -5.146 6.785 1.00 1.09 H new ATOM 0 HD23 LEU A 79 -9.951 -5.505 7.230 1.00 1.09 H new ATOM 1225 N GLU A 80 -7.673 -4.793 7.122 1.00 0.39 N ATOM 1226 CA GLU A 80 -6.849 -5.833 6.522 1.00 0.42 C ATOM 1227 C GLU A 80 -7.647 -7.105 6.293 1.00 0.40 C ATOM 1228 O GLU A 80 -8.379 -7.581 7.170 1.00 0.51 O ATOM 1229 CB GLU A 80 -5.638 -6.122 7.420 1.00 0.57 C ATOM 1230 CG GLU A 80 -4.780 -7.304 6.976 1.00 0.97 C ATOM 1231 CD GLU A 80 -4.097 -7.092 5.637 1.00 1.40 C ATOM 1232 OE1 GLU A 80 -3.203 -6.228 5.551 1.00 2.07 O ATOM 1233 OE2 GLU A 80 -4.439 -7.809 4.674 1.00 1.69 O ATOM 0 H GLU A 80 -7.736 -4.839 8.139 1.00 0.39 H new ATOM 0 HA GLU A 80 -6.503 -5.476 5.552 1.00 0.42 H new ATOM 0 HB2 GLU A 80 -5.012 -5.231 7.459 1.00 0.57 H new ATOM 0 HB3 GLU A 80 -5.992 -6.308 8.434 1.00 0.57 H new ATOM 0 HG2 GLU A 80 -4.021 -7.496 7.735 1.00 0.97 H new ATOM 0 HG3 GLU A 80 -5.406 -8.195 6.918 1.00 0.97 H new ATOM 1240 N ARG A 81 -7.508 -7.627 5.088 1.00 0.38 N ATOM 1241 CA ARG A 81 -8.172 -8.843 4.679 1.00 0.39 C ATOM 1242 C ARG A 81 -7.149 -9.825 4.145 1.00 0.48 C ATOM 1243 O ARG A 81 -6.502 -9.579 3.132 1.00 0.75 O ATOM 1244 CB ARG A 81 -9.214 -8.573 3.598 1.00 0.56 C ATOM 1245 CG ARG A 81 -9.794 -9.851 3.025 1.00 0.76 C ATOM 1246 CD ARG A 81 -10.692 -9.589 1.837 1.00 1.34 C ATOM 1247 NE ARG A 81 -11.170 -10.838 1.257 1.00 2.05 N ATOM 1248 CZ ARG A 81 -12.443 -11.207 1.238 1.00 2.81 C ATOM 1249 NH1 ARG A 81 -13.372 -10.441 1.801 1.00 3.05 N ATOM 1250 NH2 ARG A 81 -12.781 -12.361 0.681 1.00 3.75 N ATOM 0 H ARG A 81 -6.925 -7.212 4.362 1.00 0.38 H new ATOM 0 HA ARG A 81 -8.678 -9.258 5.551 1.00 0.39 H new ATOM 0 HB2 ARG A 81 -10.018 -7.967 4.015 1.00 0.56 H new ATOM 0 HB3 ARG A 81 -8.760 -7.991 2.796 1.00 0.56 H new ATOM 0 HG2 ARG A 81 -8.982 -10.514 2.725 1.00 0.76 H new ATOM 0 HG3 ARG A 81 -10.360 -10.370 3.799 1.00 0.76 H new ATOM 0 HD2 ARG A 81 -11.541 -8.979 2.146 1.00 1.34 H new ATOM 0 HD3 ARG A 81 -10.148 -9.019 1.084 1.00 1.34 H new ATOM 0 HE ARG A 81 -10.483 -11.466 0.840 1.00 2.05 H new ATOM 0 HH11 ARG A 81 -13.107 -9.565 2.250 1.00 3.05 H new ATOM 0 HH12 ARG A 81 -14.350 -10.730 1.784 1.00 3.05 H new ATOM 0 HH21 ARG A 81 -12.064 -12.959 0.271 1.00 3.75 H new ATOM 0 HH22 ARG A 81 -13.759 -12.652 0.663 1.00 3.75 H new ATOM 1264 N LEU A 82 -7.022 -10.940 4.812 1.00 0.60 N ATOM 1265 CA LEU A 82 -6.049 -11.934 4.422 1.00 0.82 C ATOM 1266 C LEU A 82 -6.686 -13.003 3.542 1.00 0.66 C ATOM 1267 O LEU A 82 -7.639 -13.677 3.938 1.00 0.84 O ATOM 1268 CB LEU A 82 -5.370 -12.540 5.663 1.00 1.25 C ATOM 1269 CG LEU A 82 -6.305 -12.986 6.793 1.00 1.28 C ATOM 1270 CD1 LEU A 82 -6.648 -14.464 6.678 1.00 1.93 C ATOM 1271 CD2 LEU A 82 -5.675 -12.688 8.144 1.00 1.65 C ATOM 0 H LEU A 82 -7.579 -11.187 5.630 1.00 0.60 H new ATOM 0 HA LEU A 82 -5.275 -11.449 3.828 1.00 0.82 H new ATOM 0 HB2 LEU A 82 -4.780 -13.400 5.346 1.00 1.25 H new ATOM 0 HB3 LEU A 82 -4.672 -11.806 6.065 1.00 1.25 H new ATOM 0 HG LEU A 82 -7.234 -12.423 6.705 1.00 1.28 H new ATOM 0 HD11 LEU A 82 -7.312 -14.748 7.494 1.00 1.93 H new ATOM 0 HD12 LEU A 82 -7.144 -14.649 5.725 1.00 1.93 H new ATOM 0 HD13 LEU A 82 -5.734 -15.055 6.732 1.00 1.93 H new ATOM 0 HD21 LEU A 82 -6.349 -13.009 8.938 1.00 1.65 H new ATOM 0 HD22 LEU A 82 -4.730 -13.224 8.231 1.00 1.65 H new ATOM 0 HD23 LEU A 82 -5.494 -11.617 8.233 1.00 1.65 H new ATOM 1283 N GLU A 83 -6.182 -13.106 2.326 1.00 0.76 N ATOM 1284 CA GLU A 83 -6.564 -14.175 1.426 1.00 0.82 C ATOM 1285 C GLU A 83 -5.669 -15.367 1.719 1.00 1.29 C ATOM 1286 O GLU A 83 -4.518 -15.193 2.116 1.00 2.03 O ATOM 1287 CB GLU A 83 -6.409 -13.734 -0.033 1.00 1.39 C ATOM 1288 CG GLU A 83 -7.329 -12.590 -0.442 1.00 1.89 C ATOM 1289 CD GLU A 83 -8.763 -13.029 -0.680 1.00 2.05 C ATOM 1290 OE1 GLU A 83 -9.057 -13.583 -1.760 1.00 2.48 O ATOM 1291 OE2 GLU A 83 -9.601 -12.833 0.229 1.00 2.36 O ATOM 0 H GLU A 83 -5.500 -12.454 1.937 1.00 0.76 H new ATOM 0 HA GLU A 83 -7.611 -14.439 1.578 1.00 0.82 H new ATOM 0 HB2 GLU A 83 -5.375 -13.432 -0.201 1.00 1.39 H new ATOM 0 HB3 GLU A 83 -6.601 -14.589 -0.681 1.00 1.39 H new ATOM 0 HG2 GLU A 83 -7.314 -11.826 0.335 1.00 1.89 H new ATOM 0 HG3 GLU A 83 -6.942 -12.129 -1.350 1.00 1.89 H new ATOM 1298 N GLU A 84 -6.168 -16.569 1.515 1.00 1.26 N ATOM 1299 CA GLU A 84 -5.458 -17.751 1.971 1.00 1.78 C ATOM 1300 C GLU A 84 -4.561 -18.329 0.886 1.00 1.46 C ATOM 1301 O GLU A 84 -3.874 -19.322 1.107 1.00 1.49 O ATOM 1302 CB GLU A 84 -6.441 -18.798 2.492 1.00 2.65 C ATOM 1303 CG GLU A 84 -7.192 -18.327 3.728 1.00 3.44 C ATOM 1304 CD GLU A 84 -8.124 -19.374 4.293 1.00 3.85 C ATOM 1305 OE1 GLU A 84 -7.667 -20.203 5.105 1.00 4.35 O ATOM 1306 OE2 GLU A 84 -9.316 -19.383 3.916 1.00 3.98 O ATOM 0 H GLU A 84 -7.052 -16.755 1.042 1.00 1.26 H new ATOM 0 HA GLU A 84 -4.808 -17.450 2.792 1.00 1.78 H new ATOM 0 HB2 GLU A 84 -7.157 -19.042 1.707 1.00 2.65 H new ATOM 0 HB3 GLU A 84 -5.900 -19.715 2.727 1.00 2.65 H new ATOM 0 HG2 GLU A 84 -6.473 -18.039 4.494 1.00 3.44 H new ATOM 0 HG3 GLU A 84 -7.767 -17.435 3.478 1.00 3.44 H new ATOM 1313 N ASN A 85 -4.541 -17.689 -0.275 1.00 1.98 N ATOM 1314 CA ASN A 85 -3.578 -18.042 -1.314 1.00 2.36 C ATOM 1315 C ASN A 85 -2.344 -17.165 -1.192 1.00 1.83 C ATOM 1316 O ASN A 85 -1.713 -16.800 -2.184 1.00 2.36 O ATOM 1317 CB ASN A 85 -4.187 -17.926 -2.715 1.00 3.24 C ATOM 1318 CG ASN A 85 -5.093 -19.092 -3.050 1.00 4.01 C ATOM 1319 OD1 ASN A 85 -4.641 -20.114 -3.570 1.00 4.69 O ATOM 1320 ND2 ASN A 85 -6.376 -18.947 -2.763 1.00 4.33 N ATOM 0 H ASN A 85 -5.174 -16.928 -0.522 1.00 1.98 H new ATOM 0 HA ASN A 85 -3.293 -19.084 -1.171 1.00 2.36 H new ATOM 0 HB2 ASN A 85 -4.753 -16.997 -2.786 1.00 3.24 H new ATOM 0 HB3 ASN A 85 -3.386 -17.868 -3.452 1.00 3.24 H new ATOM 0 HD21 ASN A 85 -7.033 -19.698 -2.972 1.00 4.33 H new ATOM 0 HD22 ASN A 85 -6.708 -18.084 -2.333 1.00 4.33 H new ATOM 1327 N HIS A 86 -2.013 -16.860 0.055 1.00 1.13 N ATOM 1328 CA HIS A 86 -0.881 -15.998 0.404 1.00 1.29 C ATOM 1329 C HIS A 86 -0.967 -14.635 -0.279 1.00 1.07 C ATOM 1330 O HIS A 86 0.012 -14.133 -0.829 1.00 1.43 O ATOM 1331 CB HIS A 86 0.454 -16.686 0.096 1.00 2.00 C ATOM 1332 CG HIS A 86 0.765 -17.808 1.040 1.00 2.54 C ATOM 1333 ND1 HIS A 86 0.898 -19.119 0.639 1.00 3.33 N ATOM 1334 CD2 HIS A 86 0.956 -17.808 2.381 1.00 3.02 C ATOM 1335 CE1 HIS A 86 1.155 -19.875 1.690 1.00 3.99 C ATOM 1336 NE2 HIS A 86 1.195 -19.108 2.761 1.00 3.81 N ATOM 0 H HIS A 86 -2.526 -17.206 0.866 1.00 1.13 H new ATOM 0 HA HIS A 86 -0.932 -15.823 1.479 1.00 1.29 H new ATOM 0 HB2 HIS A 86 0.431 -17.072 -0.923 1.00 2.00 H new ATOM 0 HB3 HIS A 86 1.255 -15.948 0.140 1.00 2.00 H new ATOM 0 HD2 HIS A 86 0.926 -16.946 3.032 1.00 3.02 H new ATOM 0 HE1 HIS A 86 1.307 -20.944 1.675 1.00 3.99 H new ATOM 0 HE2 HIS A 86 1.374 -19.426 3.714 1.00 3.81 H new ATOM 1345 N TYR A 87 -2.149 -14.033 -0.224 1.00 0.63 N ATOM 1346 CA TYR A 87 -2.359 -12.691 -0.747 1.00 0.49 C ATOM 1347 C TYR A 87 -2.928 -11.797 0.345 1.00 0.46 C ATOM 1348 O TYR A 87 -3.742 -12.241 1.155 1.00 0.61 O ATOM 1349 CB TYR A 87 -3.320 -12.701 -1.941 1.00 0.61 C ATOM 1350 CG TYR A 87 -2.776 -13.373 -3.181 1.00 1.00 C ATOM 1351 CD1 TYR A 87 -1.646 -12.880 -3.824 1.00 1.67 C ATOM 1352 CD2 TYR A 87 -3.382 -14.509 -3.702 1.00 1.38 C ATOM 1353 CE1 TYR A 87 -1.139 -13.498 -4.950 1.00 2.52 C ATOM 1354 CE2 TYR A 87 -2.883 -15.133 -4.828 1.00 2.16 C ATOM 1355 CZ TYR A 87 -1.787 -14.598 -5.475 1.00 2.70 C ATOM 1356 OH TYR A 87 -1.260 -15.246 -6.572 1.00 3.60 O ATOM 0 H TYR A 87 -2.983 -14.459 0.182 1.00 0.63 H new ATOM 0 HA TYR A 87 -1.395 -12.307 -1.082 1.00 0.49 H new ATOM 0 HB2 TYR A 87 -4.241 -13.204 -1.645 1.00 0.61 H new ATOM 0 HB3 TYR A 87 -3.584 -11.672 -2.187 1.00 0.61 H new ATOM 0 HD1 TYR A 87 -1.157 -11.999 -3.436 1.00 1.67 H new ATOM 0 HD2 TYR A 87 -4.259 -14.911 -3.218 1.00 1.38 H new ATOM 0 HE1 TYR A 87 -0.241 -13.123 -5.417 1.00 2.52 H new ATOM 0 HE2 TYR A 87 -3.347 -16.034 -5.200 1.00 2.16 H new ATOM 0 HH TYR A 87 -1.837 -16.000 -6.815 1.00 3.60 H new ATOM 1366 N ASN A 88 -2.499 -10.549 0.372 1.00 0.38 N ATOM 1367 CA ASN A 88 -3.018 -9.588 1.329 1.00 0.38 C ATOM 1368 C ASN A 88 -3.919 -8.595 0.630 1.00 0.34 C ATOM 1369 O ASN A 88 -3.649 -8.177 -0.496 1.00 0.36 O ATOM 1370 CB ASN A 88 -1.885 -8.864 2.049 1.00 0.43 C ATOM 1371 CG ASN A 88 -1.460 -9.585 3.314 1.00 0.98 C ATOM 1372 OD1 ASN A 88 -0.572 -10.441 3.289 1.00 1.80 O ATOM 1373 ND2 ASN A 88 -2.093 -9.253 4.425 1.00 1.60 N ATOM 0 H ASN A 88 -1.790 -10.176 -0.260 1.00 0.38 H new ATOM 0 HA ASN A 88 -3.599 -10.129 2.076 1.00 0.38 H new ATOM 0 HB2 ASN A 88 -1.030 -8.773 1.379 1.00 0.43 H new ATOM 0 HB3 ASN A 88 -2.203 -7.852 2.299 1.00 0.43 H new ATOM 0 HD21 ASN A 88 -1.853 -9.710 5.305 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -2.822 -8.540 4.403 1.00 1.60 H new ATOM 1380 N THR A 89 -5.000 -8.246 1.288 1.00 0.36 N ATOM 1381 CA THR A 89 -5.991 -7.370 0.708 1.00 0.37 C ATOM 1382 C THR A 89 -6.237 -6.180 1.622 1.00 0.37 C ATOM 1383 O THR A 89 -6.070 -6.276 2.831 1.00 0.40 O ATOM 1384 CB THR A 89 -7.310 -8.122 0.480 1.00 0.44 C ATOM 1385 OG1 THR A 89 -7.032 -9.455 0.032 1.00 0.50 O ATOM 1386 CG2 THR A 89 -8.158 -7.410 -0.561 1.00 0.49 C ATOM 0 H THR A 89 -5.216 -8.559 2.234 1.00 0.36 H new ATOM 0 HA THR A 89 -5.615 -7.017 -0.252 1.00 0.37 H new ATOM 0 HB THR A 89 -7.859 -8.153 1.421 1.00 0.44 H new ATOM 0 HG1 THR A 89 -7.826 -9.824 -0.409 1.00 0.50 H new ATOM 0 HG21 THR A 89 -9.089 -7.958 -0.709 1.00 0.49 H new ATOM 0 HG22 THR A 89 -8.382 -6.400 -0.219 1.00 0.49 H new ATOM 0 HG23 THR A 89 -7.612 -7.361 -1.503 1.00 0.49 H new ATOM 1394 N TYR A 90 -6.637 -5.066 1.051 1.00 0.40 N ATOM 1395 CA TYR A 90 -6.927 -3.889 1.844 1.00 0.42 C ATOM 1396 C TYR A 90 -8.336 -3.397 1.558 1.00 0.38 C ATOM 1397 O TYR A 90 -8.706 -3.196 0.398 1.00 0.42 O ATOM 1398 CB TYR A 90 -5.924 -2.766 1.554 1.00 0.49 C ATOM 1399 CG TYR A 90 -4.494 -3.076 1.944 1.00 0.54 C ATOM 1400 CD1 TYR A 90 -4.149 -3.308 3.270 1.00 0.57 C ATOM 1401 CD2 TYR A 90 -3.490 -3.145 0.989 1.00 0.76 C ATOM 1402 CE1 TYR A 90 -2.848 -3.601 3.632 1.00 0.67 C ATOM 1403 CE2 TYR A 90 -2.186 -3.437 1.344 1.00 0.85 C ATOM 1404 CZ TYR A 90 -1.861 -3.633 2.657 1.00 0.75 C ATOM 1405 OH TYR A 90 -0.570 -3.958 3.016 1.00 0.87 O ATOM 0 H TYR A 90 -6.769 -4.949 0.046 1.00 0.40 H new ATOM 0 HA TYR A 90 -6.844 -4.166 2.895 1.00 0.42 H new ATOM 0 HB2 TYR A 90 -5.954 -2.537 0.489 1.00 0.49 H new ATOM 0 HB3 TYR A 90 -6.243 -1.867 2.082 1.00 0.49 H new ATOM 0 HD1 TYR A 90 -4.912 -3.258 4.032 1.00 0.57 H new ATOM 0 HD2 TYR A 90 -3.731 -2.968 -0.049 1.00 0.76 H new ATOM 0 HE1 TYR A 90 -2.602 -3.803 4.664 1.00 0.67 H new ATOM 0 HE2 TYR A 90 -1.423 -3.510 0.583 1.00 0.85 H new ATOM 0 HH TYR A 90 0.005 -3.939 2.223 1.00 0.87 H new ATOM 1415 N ILE A 91 -9.123 -3.212 2.604 1.00 0.35 N ATOM 1416 CA ILE A 91 -10.402 -2.566 2.461 1.00 0.35 C ATOM 1417 C ILE A 91 -10.201 -1.180 2.967 1.00 0.36 C ATOM 1418 O ILE A 91 -9.421 -0.958 3.893 1.00 0.41 O ATOM 1419 CB ILE A 91 -11.550 -3.294 3.214 1.00 0.42 C ATOM 1420 CG1 ILE A 91 -12.838 -3.212 2.402 1.00 1.12 C ATOM 1421 CG2 ILE A 91 -11.789 -2.705 4.590 1.00 0.88 C ATOM 1422 CD1 ILE A 91 -12.781 -3.976 1.098 1.00 1.55 C ATOM 0 H ILE A 91 -8.894 -3.501 3.555 1.00 0.35 H new ATOM 0 HA ILE A 91 -10.723 -2.581 1.419 1.00 0.35 H new ATOM 0 HB ILE A 91 -11.249 -4.334 3.339 1.00 0.42 H new ATOM 0 HG12 ILE A 91 -13.662 -3.597 3.003 1.00 1.12 H new ATOM 0 HG13 ILE A 91 -13.059 -2.166 2.191 1.00 1.12 H new ATOM 0 HG21 ILE A 91 -12.600 -3.244 5.081 1.00 0.88 H new ATOM 0 HG22 ILE A 91 -10.881 -2.794 5.186 1.00 0.88 H new ATOM 0 HG23 ILE A 91 -12.059 -1.653 4.494 1.00 0.88 H new ATOM 0 HD11 ILE A 91 -13.731 -3.873 0.574 1.00 1.55 H new ATOM 0 HD12 ILE A 91 -11.979 -3.577 0.477 1.00 1.55 H new ATOM 0 HD13 ILE A 91 -12.592 -5.030 1.302 1.00 1.55 H new ATOM 1434 N SER A 92 -10.877 -0.252 2.386 1.00 0.36 N ATOM 1435 CA SER A 92 -10.591 1.107 2.673 1.00 0.40 C ATOM 1436 C SER A 92 -11.339 1.480 3.909 1.00 0.43 C ATOM 1437 O SER A 92 -12.537 1.331 3.996 1.00 0.53 O ATOM 1438 CB SER A 92 -10.994 1.975 1.494 1.00 0.47 C ATOM 1439 OG SER A 92 -12.305 1.671 1.060 1.00 1.33 O ATOM 0 H SER A 92 -11.627 -0.408 1.713 1.00 0.36 H new ATOM 0 HA SER A 92 -9.524 1.258 2.839 1.00 0.40 H new ATOM 0 HB2 SER A 92 -10.936 3.026 1.776 1.00 0.47 H new ATOM 0 HB3 SER A 92 -10.293 1.826 0.673 1.00 0.47 H new ATOM 0 HG SER A 92 -12.583 2.320 0.380 1.00 1.33 H new ATOM 1445 N LYS A 93 -10.608 1.941 4.890 1.00 0.44 N ATOM 1446 CA LYS A 93 -11.190 2.220 6.179 1.00 0.54 C ATOM 1447 C LYS A 93 -11.878 3.559 6.049 1.00 0.57 C ATOM 1448 O LYS A 93 -12.545 4.059 6.948 1.00 0.72 O ATOM 1449 CB LYS A 93 -10.097 2.198 7.241 1.00 0.65 C ATOM 1450 CG LYS A 93 -10.527 1.565 8.552 1.00 0.84 C ATOM 1451 CD LYS A 93 -9.419 1.641 9.592 1.00 1.27 C ATOM 1452 CE LYS A 93 -9.810 0.954 10.892 1.00 1.20 C ATOM 1453 NZ LYS A 93 -10.864 1.700 11.631 1.00 1.58 N ATOM 0 H LYS A 93 -9.608 2.132 4.822 1.00 0.44 H new ATOM 0 HA LYS A 93 -11.922 1.474 6.491 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -9.236 1.655 6.851 1.00 0.65 H new ATOM 0 HB3 LYS A 93 -9.769 3.220 7.432 1.00 0.65 H new ATOM 0 HG2 LYS A 93 -11.417 2.070 8.928 1.00 0.84 H new ATOM 0 HG3 LYS A 93 -10.799 0.523 8.383 1.00 0.84 H new ATOM 0 HD2 LYS A 93 -8.516 1.178 9.194 1.00 1.27 H new ATOM 0 HD3 LYS A 93 -9.180 2.686 9.792 1.00 1.27 H new ATOM 0 HE2 LYS A 93 -10.165 -0.053 10.675 1.00 1.20 H new ATOM 0 HE3 LYS A 93 -8.929 0.852 11.525 1.00 1.20 H new ATOM 0 HZ1 LYS A 93 -11.085 1.203 12.517 1.00 1.58 H new ATOM 0 HZ2 LYS A 93 -10.524 2.659 11.848 1.00 1.58 H new ATOM 0 HZ3 LYS A 93 -11.721 1.761 11.045 1.00 1.58 H new ATOM 1467 N LYS A 94 -11.713 4.081 4.848 1.00 0.52 N ATOM 1468 CA LYS A 94 -12.489 5.164 4.324 1.00 0.67 C ATOM 1469 C LYS A 94 -13.890 4.645 3.982 1.00 0.79 C ATOM 1470 O LYS A 94 -14.796 4.706 4.815 1.00 0.97 O ATOM 1471 CB LYS A 94 -11.787 5.733 3.081 1.00 0.69 C ATOM 1472 CG LYS A 94 -10.761 6.825 3.349 1.00 1.21 C ATOM 1473 CD LYS A 94 -11.354 7.957 4.178 1.00 1.56 C ATOM 1474 CE LYS A 94 -10.341 9.063 4.450 1.00 2.00 C ATOM 1475 NZ LYS A 94 -9.945 9.783 3.215 1.00 2.32 N ATOM 0 H LYS A 94 -11.006 3.742 4.195 1.00 0.52 H new ATOM 0 HA LYS A 94 -12.583 5.964 5.059 1.00 0.67 H new ATOM 0 HB2 LYS A 94 -11.292 4.914 2.558 1.00 0.69 H new ATOM 0 HB3 LYS A 94 -12.546 6.130 2.406 1.00 0.69 H new ATOM 0 HG2 LYS A 94 -9.904 6.400 3.872 1.00 1.21 H new ATOM 0 HG3 LYS A 94 -10.393 7.220 2.402 1.00 1.21 H new ATOM 0 HD2 LYS A 94 -12.215 8.375 3.656 1.00 1.56 H new ATOM 0 HD3 LYS A 94 -11.718 7.559 5.125 1.00 1.56 H new ATOM 0 HE2 LYS A 94 -10.764 9.773 5.161 1.00 2.00 H new ATOM 0 HE3 LYS A 94 -9.455 8.633 4.917 1.00 2.00 H new ATOM 0 HZ1 LYS A 94 -9.605 10.734 3.462 1.00 2.32 H new ATOM 0 HZ2 LYS A 94 -9.186 9.258 2.735 1.00 2.32 H new ATOM 0 HZ3 LYS A 94 -10.766 9.862 2.581 1.00 2.32 H new ATOM 1489 N HIS A 95 -14.081 4.132 2.763 1.00 0.76 N ATOM 1490 CA HIS A 95 -15.397 3.618 2.367 1.00 0.96 C ATOM 1491 C HIS A 95 -15.590 2.107 2.528 1.00 1.01 C ATOM 1492 O HIS A 95 -16.245 1.476 1.693 1.00 1.23 O ATOM 1493 CB HIS A 95 -15.768 4.035 0.945 1.00 1.06 C ATOM 1494 CG HIS A 95 -15.896 5.507 0.765 1.00 0.99 C ATOM 1495 ND1 HIS A 95 -14.939 6.258 0.137 1.00 1.55 N ATOM 1496 CD2 HIS A 95 -16.875 6.370 1.125 1.00 1.69 C ATOM 1497 CE1 HIS A 95 -15.312 7.519 0.117 1.00 2.27 C ATOM 1498 NE2 HIS A 95 -16.483 7.618 0.707 1.00 2.32 N ATOM 0 H HIS A 95 -13.359 4.062 2.046 1.00 0.76 H new ATOM 0 HA HIS A 95 -16.075 4.085 3.081 1.00 0.96 H new ATOM 0 HB2 HIS A 95 -15.011 3.659 0.257 1.00 1.06 H new ATOM 0 HB3 HIS A 95 -16.711 3.562 0.672 1.00 1.06 H new ATOM 0 HD2 HIS A 95 -17.790 6.124 1.643 1.00 1.69 H new ATOM 0 HE1 HIS A 95 -14.751 8.336 -0.312 1.00 2.27 H new ATOM 0 HE2 HIS A 95 -17.013 8.480 0.833 1.00 2.32 H new ATOM 1507 N ALA A 96 -15.030 1.531 3.574 1.00 0.94 N ATOM 1508 CA ALA A 96 -15.319 0.140 3.944 1.00 1.02 C ATOM 1509 C ALA A 96 -16.821 -0.130 3.984 1.00 1.03 C ATOM 1510 O ALA A 96 -17.292 -1.149 3.478 1.00 1.05 O ATOM 1511 CB ALA A 96 -14.707 -0.191 5.299 1.00 1.18 C ATOM 0 H ALA A 96 -14.367 2.000 4.192 1.00 0.94 H new ATOM 0 HA ALA A 96 -14.875 -0.497 3.179 1.00 1.02 H new ATOM 0 HB1 ALA A 96 -14.932 -1.226 5.557 1.00 1.18 H new ATOM 0 HB2 ALA A 96 -13.627 -0.055 5.253 1.00 1.18 H new ATOM 0 HB3 ALA A 96 -15.124 0.471 6.058 1.00 1.18 H new ATOM 1517 N GLU A 97 -17.569 0.801 4.566 1.00 1.07 N ATOM 1518 CA GLU A 97 -19.012 0.644 4.717 1.00 1.16 C ATOM 1519 C GLU A 97 -19.722 0.630 3.367 1.00 1.07 C ATOM 1520 O GLU A 97 -20.800 0.053 3.227 1.00 1.18 O ATOM 1521 CB GLU A 97 -19.592 1.743 5.621 1.00 1.30 C ATOM 1522 CG GLU A 97 -18.982 3.133 5.431 1.00 2.04 C ATOM 1523 CD GLU A 97 -19.209 3.726 4.049 1.00 2.81 C ATOM 1524 OE1 GLU A 97 -20.362 4.065 3.716 1.00 3.22 O ATOM 1525 OE2 GLU A 97 -18.222 3.878 3.304 1.00 3.42 O ATOM 0 H GLU A 97 -17.199 1.674 4.942 1.00 1.07 H new ATOM 0 HA GLU A 97 -19.185 -0.322 5.192 1.00 1.16 H new ATOM 0 HB2 GLU A 97 -20.666 1.808 5.444 1.00 1.30 H new ATOM 0 HB3 GLU A 97 -19.458 1.444 6.661 1.00 1.30 H new ATOM 0 HG2 GLU A 97 -19.401 3.807 6.178 1.00 2.04 H new ATOM 0 HG3 GLU A 97 -17.910 3.077 5.619 1.00 2.04 H new ATOM 1532 N LYS A 98 -19.109 1.253 2.375 1.00 0.92 N ATOM 1533 CA LYS A 98 -19.698 1.333 1.058 1.00 0.88 C ATOM 1534 C LYS A 98 -19.187 0.190 0.192 1.00 0.83 C ATOM 1535 O LYS A 98 -19.542 0.073 -0.982 1.00 0.83 O ATOM 1536 CB LYS A 98 -19.363 2.689 0.443 1.00 0.84 C ATOM 1537 CG LYS A 98 -20.313 3.105 -0.660 1.00 1.41 C ATOM 1538 CD LYS A 98 -20.308 4.612 -0.865 1.00 1.98 C ATOM 1539 CE LYS A 98 -20.511 5.368 0.447 1.00 2.14 C ATOM 1540 NZ LYS A 98 -21.662 4.846 1.233 1.00 2.65 N ATOM 0 H LYS A 98 -18.201 1.710 2.461 1.00 0.92 H new ATOM 0 HA LYS A 98 -20.782 1.240 1.126 1.00 0.88 H new ATOM 0 HB2 LYS A 98 -19.375 3.447 1.226 1.00 0.84 H new ATOM 0 HB3 LYS A 98 -18.349 2.658 0.045 1.00 0.84 H new ATOM 0 HG2 LYS A 98 -20.031 2.610 -1.589 1.00 1.41 H new ATOM 0 HG3 LYS A 98 -21.322 2.774 -0.416 1.00 1.41 H new ATOM 0 HD2 LYS A 98 -19.362 4.914 -1.315 1.00 1.98 H new ATOM 0 HD3 LYS A 98 -21.096 4.885 -1.567 1.00 1.98 H new ATOM 0 HE2 LYS A 98 -19.604 5.298 1.047 1.00 2.14 H new ATOM 0 HE3 LYS A 98 -20.671 6.425 0.233 1.00 2.14 H new ATOM 0 HZ1 LYS A 98 -22.211 5.642 1.615 1.00 2.65 H new ATOM 0 HZ2 LYS A 98 -22.270 4.270 0.617 1.00 2.65 H new ATOM 0 HZ3 LYS A 98 -21.310 4.260 2.017 1.00 2.65 H new ATOM 1554 N ASN A 99 -18.321 -0.629 0.794 1.00 0.82 N ATOM 1555 CA ASN A 99 -17.815 -1.861 0.184 1.00 0.84 C ATOM 1556 C ASN A 99 -16.691 -1.561 -0.792 1.00 0.68 C ATOM 1557 O ASN A 99 -16.390 -2.372 -1.667 1.00 0.74 O ATOM 1558 CB ASN A 99 -18.920 -2.682 -0.499 1.00 1.01 C ATOM 1559 CG ASN A 99 -19.944 -3.230 0.481 1.00 1.34 C ATOM 1560 OD1 ASN A 99 -19.520 -3.470 1.716 1.00 1.96 O flip ATOM 1561 ND2 ASN A 99 -21.108 -3.438 0.131 1.00 2.00 N flip ATOM 0 H ASN A 99 -17.948 -0.454 1.727 1.00 0.82 H new ATOM 0 HA ASN A 99 -17.422 -2.472 0.997 1.00 0.84 H new ATOM 0 HB2 ASN A 99 -19.427 -2.058 -1.235 1.00 1.01 H new ATOM 0 HB3 ASN A 99 -18.466 -3.510 -1.043 1.00 1.01 H new ATOM 0 HD21 ASN A 99 -21.395 -3.241 -0.828 1.00 2.00 H new ATOM 0 HD22 ASN A 99 -21.783 -3.807 0.800 1.00 2.00 H new ATOM 1568 N TRP A 100 -16.089 -0.387 -0.653 1.00 0.54 N ATOM 1569 CA TRP A 100 -14.977 -0.003 -1.490 1.00 0.44 C ATOM 1570 C TRP A 100 -13.692 -0.687 -1.037 1.00 0.41 C ATOM 1571 O TRP A 100 -13.528 -1.037 0.134 1.00 0.45 O ATOM 1572 CB TRP A 100 -14.816 1.508 -1.468 1.00 0.51 C ATOM 1573 CG TRP A 100 -15.363 2.205 -2.680 1.00 0.52 C ATOM 1574 CD1 TRP A 100 -16.345 1.790 -3.535 1.00 1.03 C ATOM 1575 CD2 TRP A 100 -14.930 3.466 -3.157 1.00 0.54 C ATOM 1576 NE1 TRP A 100 -16.532 2.737 -4.526 1.00 1.33 N ATOM 1577 CE2 TRP A 100 -15.665 3.778 -4.309 1.00 1.01 C ATOM 1578 CE3 TRP A 100 -13.978 4.350 -2.706 1.00 0.62 C ATOM 1579 CZ2 TRP A 100 -15.461 4.969 -5.018 1.00 1.22 C ATOM 1580 CZ3 TRP A 100 -13.774 5.523 -3.396 1.00 0.82 C ATOM 1581 CH2 TRP A 100 -14.500 5.828 -4.537 1.00 1.01 C ATOM 0 H TRP A 100 -16.359 0.314 0.037 1.00 0.54 H new ATOM 0 HA TRP A 100 -15.182 -0.323 -2.512 1.00 0.44 H new ATOM 0 HB2 TRP A 100 -15.313 1.902 -0.581 1.00 0.51 H new ATOM 0 HB3 TRP A 100 -13.757 1.748 -1.372 1.00 0.51 H new ATOM 0 HD1 TRP A 100 -16.892 0.863 -3.450 1.00 1.03 H new ATOM 0 HE1 TRP A 100 -17.203 2.672 -5.291 1.00 1.33 H new ATOM 0 HE3 TRP A 100 -13.398 4.127 -1.822 1.00 0.62 H new ATOM 0 HZ2 TRP A 100 -16.033 5.203 -5.904 1.00 1.22 H new ATOM 0 HZ3 TRP A 100 -13.031 6.222 -3.041 1.00 0.82 H new ATOM 0 HH2 TRP A 100 -14.308 6.755 -5.057 1.00 1.01 H new ATOM 1592 N PHE A 101 -12.789 -0.861 -1.978 1.00 0.50 N ATOM 1593 CA PHE A 101 -11.541 -1.565 -1.746 1.00 0.51 C ATOM 1594 C PHE A 101 -10.385 -0.596 -1.888 1.00 0.55 C ATOM 1595 O PHE A 101 -10.481 0.376 -2.632 1.00 0.67 O ATOM 1596 CB PHE A 101 -11.351 -2.709 -2.752 1.00 0.60 C ATOM 1597 CG PHE A 101 -12.386 -3.797 -2.697 1.00 0.61 C ATOM 1598 CD1 PHE A 101 -13.658 -3.595 -3.204 1.00 0.62 C ATOM 1599 CD2 PHE A 101 -12.074 -5.037 -2.162 1.00 0.72 C ATOM 1600 CE1 PHE A 101 -14.599 -4.604 -3.177 1.00 0.71 C ATOM 1601 CE2 PHE A 101 -13.013 -6.049 -2.128 1.00 0.79 C ATOM 1602 CZ PHE A 101 -14.277 -5.832 -2.638 1.00 0.77 C ATOM 0 H PHE A 101 -12.898 -0.517 -2.932 1.00 0.50 H new ATOM 0 HA PHE A 101 -11.571 -1.985 -0.741 1.00 0.51 H new ATOM 0 HB2 PHE A 101 -11.345 -2.288 -3.757 1.00 0.60 H new ATOM 0 HB3 PHE A 101 -10.370 -3.156 -2.587 1.00 0.60 H new ATOM 0 HD1 PHE A 101 -13.917 -2.635 -3.626 1.00 0.62 H new ATOM 0 HD2 PHE A 101 -11.085 -5.214 -1.767 1.00 0.72 H new ATOM 0 HE1 PHE A 101 -15.587 -4.432 -3.578 1.00 0.71 H new ATOM 0 HE2 PHE A 101 -12.759 -7.009 -1.703 1.00 0.79 H new ATOM 0 HZ PHE A 101 -15.013 -6.622 -2.615 1.00 0.77 H new ATOM 1612 N VAL A 102 -9.303 -0.836 -1.173 1.00 0.52 N ATOM 1613 CA VAL A 102 -8.100 -0.070 -1.419 1.00 0.55 C ATOM 1614 C VAL A 102 -7.355 -0.745 -2.543 1.00 0.50 C ATOM 1615 O VAL A 102 -6.940 -1.895 -2.419 1.00 0.60 O ATOM 1616 CB VAL A 102 -7.166 -0.006 -0.195 1.00 0.74 C ATOM 1617 CG1 VAL A 102 -5.920 0.810 -0.507 1.00 1.50 C ATOM 1618 CG2 VAL A 102 -7.889 0.567 0.998 1.00 1.27 C ATOM 0 H VAL A 102 -9.232 -1.537 -0.435 1.00 0.52 H new ATOM 0 HA VAL A 102 -8.394 0.952 -1.658 1.00 0.55 H new ATOM 0 HB VAL A 102 -6.856 -1.023 0.047 1.00 0.74 H new ATOM 0 HG11 VAL A 102 -5.276 0.841 0.372 1.00 1.50 H new ATOM 0 HG12 VAL A 102 -5.382 0.350 -1.335 1.00 1.50 H new ATOM 0 HG13 VAL A 102 -6.209 1.825 -0.781 1.00 1.50 H new ATOM 0 HG21 VAL A 102 -7.212 0.603 1.851 1.00 1.27 H new ATOM 0 HG22 VAL A 102 -8.234 1.575 0.765 1.00 1.27 H new ATOM 0 HG23 VAL A 102 -8.745 -0.062 1.241 1.00 1.27 H new ATOM 1628 N GLY A 103 -7.216 -0.048 -3.649 1.00 0.54 N ATOM 1629 CA GLY A 103 -6.585 -0.647 -4.788 1.00 0.61 C ATOM 1630 C GLY A 103 -5.447 0.157 -5.314 1.00 0.54 C ATOM 1631 O GLY A 103 -5.542 1.360 -5.579 1.00 0.66 O ATOM 0 H GLY A 103 -7.527 0.915 -3.777 1.00 0.54 H new ATOM 0 HA2 GLY A 103 -6.226 -1.640 -4.517 1.00 0.61 H new ATOM 0 HA3 GLY A 103 -7.324 -0.780 -5.578 1.00 0.61 H new ATOM 1635 N LEU A 104 -4.396 -0.539 -5.549 1.00 0.53 N ATOM 1636 CA LEU A 104 -3.168 0.080 -5.916 1.00 0.50 C ATOM 1637 C LEU A 104 -2.598 -0.598 -7.137 1.00 0.59 C ATOM 1638 O LEU A 104 -2.369 -1.802 -7.126 1.00 0.92 O ATOM 1639 CB LEU A 104 -2.233 0.022 -4.709 1.00 0.77 C ATOM 1640 CG LEU A 104 -0.885 -0.661 -4.888 1.00 1.07 C ATOM 1641 CD1 LEU A 104 0.032 0.120 -5.811 1.00 1.62 C ATOM 1642 CD2 LEU A 104 -0.249 -0.809 -3.541 1.00 1.27 C ATOM 0 H LEU A 104 -4.359 -1.557 -5.493 1.00 0.53 H new ATOM 0 HA LEU A 104 -3.312 1.126 -6.186 1.00 0.50 H new ATOM 0 HB2 LEU A 104 -2.049 1.044 -4.378 1.00 0.77 H new ATOM 0 HB3 LEU A 104 -2.760 -0.485 -3.901 1.00 0.77 H new ATOM 0 HG LEU A 104 -1.047 -1.635 -5.349 1.00 1.07 H new ATOM 0 HD11 LEU A 104 0.982 -0.405 -5.909 1.00 1.62 H new ATOM 0 HD12 LEU A 104 -0.434 0.214 -6.792 1.00 1.62 H new ATOM 0 HD13 LEU A 104 0.207 1.112 -5.396 1.00 1.62 H new ATOM 0 HD21 LEU A 104 0.720 -1.297 -3.648 1.00 1.27 H new ATOM 0 HD22 LEU A 104 -0.112 0.175 -3.093 1.00 1.27 H new ATOM 0 HD23 LEU A 104 -0.891 -1.413 -2.900 1.00 1.27 H new ATOM 1654 N LYS A 105 -2.381 0.148 -8.203 1.00 0.49 N ATOM 1655 CA LYS A 105 -1.721 -0.454 -9.340 1.00 0.54 C ATOM 1656 C LYS A 105 -0.252 -0.059 -9.313 1.00 0.49 C ATOM 1657 O LYS A 105 0.130 0.946 -9.864 1.00 0.55 O ATOM 1658 CB LYS A 105 -2.421 0.047 -10.613 1.00 0.70 C ATOM 1659 CG LYS A 105 -2.375 -0.897 -11.804 1.00 0.94 C ATOM 1660 CD LYS A 105 -1.019 -0.906 -12.477 1.00 1.55 C ATOM 1661 CE LYS A 105 -1.075 -1.648 -13.799 1.00 1.97 C ATOM 1662 NZ LYS A 105 -1.915 -0.938 -14.798 1.00 2.09 N ATOM 0 H LYS A 105 -2.640 1.129 -8.304 1.00 0.49 H new ATOM 0 HA LYS A 105 -1.779 -1.542 -9.314 1.00 0.54 H new ATOM 0 HB2 LYS A 105 -3.465 0.252 -10.375 1.00 0.70 H new ATOM 0 HB3 LYS A 105 -1.969 0.994 -10.906 1.00 0.70 H new ATOM 0 HG2 LYS A 105 -2.622 -1.906 -11.475 1.00 0.94 H new ATOM 0 HG3 LYS A 105 -3.135 -0.603 -12.527 1.00 0.94 H new ATOM 0 HD2 LYS A 105 -0.685 0.118 -12.644 1.00 1.55 H new ATOM 0 HD3 LYS A 105 -0.287 -1.377 -11.822 1.00 1.55 H new ATOM 0 HE2 LYS A 105 -0.065 -1.766 -14.192 1.00 1.97 H new ATOM 0 HE3 LYS A 105 -1.473 -2.650 -13.636 1.00 1.97 H new ATOM 0 HZ1 LYS A 105 -1.657 -1.253 -15.755 1.00 2.09 H new ATOM 0 HZ2 LYS A 105 -2.918 -1.150 -14.622 1.00 2.09 H new ATOM 0 HZ3 LYS A 105 -1.759 0.087 -14.717 1.00 2.09 H new ATOM 1676 N LYS A 106 0.586 -0.940 -8.792 1.00 0.46 N ATOM 1677 CA LYS A 106 2.008 -0.625 -8.633 1.00 0.44 C ATOM 1678 C LYS A 106 2.677 -0.573 -9.970 1.00 0.44 C ATOM 1679 O LYS A 106 3.712 0.059 -10.129 1.00 0.46 O ATOM 1680 CB LYS A 106 2.757 -1.663 -7.794 1.00 0.51 C ATOM 1681 CG LYS A 106 3.157 -2.905 -8.594 1.00 0.81 C ATOM 1682 CD LYS A 106 4.140 -3.784 -7.847 1.00 1.11 C ATOM 1683 CE LYS A 106 4.532 -4.999 -8.679 1.00 1.02 C ATOM 1684 NZ LYS A 106 5.591 -5.818 -8.020 1.00 1.57 N ATOM 0 H LYS A 106 0.317 -1.871 -8.473 1.00 0.46 H new ATOM 0 HA LYS A 106 2.046 0.338 -8.124 1.00 0.44 H new ATOM 0 HB2 LYS A 106 3.652 -1.205 -7.374 1.00 0.51 H new ATOM 0 HB3 LYS A 106 2.130 -1.965 -6.955 1.00 0.51 H new ATOM 0 HG2 LYS A 106 2.264 -3.484 -8.831 1.00 0.81 H new ATOM 0 HG3 LYS A 106 3.598 -2.596 -9.542 1.00 0.81 H new ATOM 0 HD2 LYS A 106 5.031 -3.208 -7.597 1.00 1.11 H new ATOM 0 HD3 LYS A 106 3.698 -4.111 -6.906 1.00 1.11 H new ATOM 0 HE2 LYS A 106 3.652 -5.618 -8.851 1.00 1.02 H new ATOM 0 HE3 LYS A 106 4.886 -4.669 -9.656 1.00 1.02 H new ATOM 0 HZ1 LYS A 106 5.921 -6.553 -8.678 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 6.389 -5.206 -7.756 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 5.202 -6.267 -7.166 1.00 1.57 H new ATOM 1698 N ASN A 107 2.110 -1.262 -10.938 1.00 0.50 N ATOM 1699 CA ASN A 107 2.753 -1.323 -12.221 1.00 0.56 C ATOM 1700 C ASN A 107 2.625 0.048 -12.881 1.00 0.60 C ATOM 1701 O ASN A 107 3.238 0.330 -13.909 1.00 0.70 O ATOM 1702 CB ASN A 107 2.089 -2.418 -13.066 1.00 0.67 C ATOM 1703 CG ASN A 107 2.941 -2.840 -14.247 1.00 1.47 C ATOM 1704 OD1 ASN A 107 4.161 -2.912 -14.147 1.00 2.40 O ATOM 1705 ND2 ASN A 107 2.304 -3.112 -15.376 1.00 1.84 N ATOM 0 H ASN A 107 1.230 -1.772 -10.861 1.00 0.50 H new ATOM 0 HA ASN A 107 3.810 -1.571 -12.123 1.00 0.56 H new ATOM 0 HB2 ASN A 107 1.890 -3.286 -12.438 1.00 0.67 H new ATOM 0 HB3 ASN A 107 1.126 -2.059 -13.428 1.00 0.67 H new ATOM 0 HD21 ASN A 107 2.830 -3.393 -16.203 1.00 1.84 H new ATOM 0 HD22 ASN A 107 1.287 -3.040 -15.418 1.00 1.84 H new ATOM 1712 N GLY A 108 1.805 0.890 -12.245 1.00 0.56 N ATOM 1713 CA GLY A 108 1.797 2.317 -12.488 1.00 0.65 C ATOM 1714 C GLY A 108 2.056 3.084 -11.204 1.00 0.60 C ATOM 1715 O GLY A 108 3.184 3.390 -10.833 1.00 0.71 O ATOM 0 H GLY A 108 1.128 0.589 -11.544 1.00 0.56 H new ATOM 0 HA2 GLY A 108 2.558 2.569 -13.227 1.00 0.65 H new ATOM 0 HA3 GLY A 108 0.835 2.614 -12.906 1.00 0.65 H new ATOM 1719 N SER A 109 0.947 3.273 -10.497 1.00 0.53 N ATOM 1720 CA SER A 109 0.840 4.020 -9.248 1.00 0.64 C ATOM 1721 C SER A 109 -0.470 3.567 -8.597 1.00 0.54 C ATOM 1722 O SER A 109 -1.299 2.955 -9.273 1.00 0.54 O ATOM 1723 CB SER A 109 0.813 5.527 -9.523 1.00 0.93 C ATOM 1724 OG SER A 109 0.725 6.270 -8.318 1.00 1.50 O ATOM 0 H SER A 109 0.051 2.889 -10.795 1.00 0.53 H new ATOM 0 HA SER A 109 1.694 3.832 -8.597 1.00 0.64 H new ATOM 0 HB2 SER A 109 1.713 5.816 -10.066 1.00 0.93 H new ATOM 0 HB3 SER A 109 -0.036 5.767 -10.163 1.00 0.93 H new ATOM 0 HG SER A 109 1.186 5.786 -7.601 1.00 1.50 H new ATOM 1730 N CYS A 110 -0.711 3.831 -7.322 1.00 0.76 N ATOM 1731 CA CYS A 110 -1.896 3.241 -6.724 1.00 0.82 C ATOM 1732 C CYS A 110 -3.101 4.163 -6.831 1.00 0.66 C ATOM 1733 O CYS A 110 -3.240 5.098 -6.086 1.00 1.17 O ATOM 1734 CB CYS A 110 -1.596 2.981 -5.257 1.00 1.35 C ATOM 1735 SG CYS A 110 -0.929 4.400 -4.373 1.00 2.32 S ATOM 0 H CYS A 110 -0.139 4.415 -6.712 1.00 0.76 H new ATOM 0 HA CYS A 110 -2.138 2.319 -7.253 1.00 0.82 H new ATOM 0 HB2 CYS A 110 -2.512 2.658 -4.763 1.00 1.35 H new ATOM 0 HB3 CYS A 110 -0.887 2.156 -5.184 1.00 1.35 H new ATOM 0 HG CYS A 110 -1.559 5.476 -4.741 1.00 2.32 H new ATOM 1741 N LYS A 111 -3.978 3.873 -7.773 1.00 0.72 N ATOM 1742 CA LYS A 111 -5.243 4.572 -7.890 1.00 1.00 C ATOM 1743 C LYS A 111 -6.362 3.576 -8.128 1.00 0.75 C ATOM 1744 O LYS A 111 -6.483 3.098 -9.255 1.00 1.56 O ATOM 1745 CB LYS A 111 -5.183 5.581 -9.045 1.00 2.13 C ATOM 1746 CG LYS A 111 -4.732 4.995 -10.395 1.00 2.53 C ATOM 1747 CD LYS A 111 -3.225 4.753 -10.471 1.00 2.18 C ATOM 1748 CE LYS A 111 -2.450 6.060 -10.390 1.00 3.01 C ATOM 1749 NZ LYS A 111 -2.704 6.932 -11.568 1.00 3.59 N ATOM 0 H LYS A 111 -3.834 3.149 -8.477 1.00 0.72 H new ATOM 0 HA LYS A 111 -5.437 5.111 -6.963 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -6.170 6.027 -9.170 1.00 2.13 H new ATOM 0 HB3 LYS A 111 -4.502 6.386 -8.770 1.00 2.13 H new ATOM 0 HG2 LYS A 111 -5.254 4.054 -10.568 1.00 2.53 H new ATOM 0 HG3 LYS A 111 -5.026 5.674 -11.195 1.00 2.53 H new ATOM 0 HD2 LYS A 111 -2.919 4.095 -9.658 1.00 2.18 H new ATOM 0 HD3 LYS A 111 -2.983 4.242 -11.403 1.00 2.18 H new ATOM 0 HE2 LYS A 111 -2.728 6.591 -9.479 1.00 3.01 H new ATOM 0 HE3 LYS A 111 -1.384 5.846 -10.321 1.00 3.01 H new ATOM 0 HZ1 LYS A 111 -2.014 7.710 -11.579 1.00 3.59 H new ATOM 0 HZ2 LYS A 111 -2.610 6.373 -12.440 1.00 3.59 H new ATOM 0 HZ3 LYS A 111 -3.666 7.323 -11.509 1.00 3.59 H new ATOM 1763 N ARG A 112 -7.205 3.247 -7.173 1.00 0.95 N ATOM 1764 CA ARG A 112 -8.354 2.428 -7.547 1.00 1.36 C ATOM 1765 C ARG A 112 -9.640 2.769 -6.796 1.00 1.14 C ATOM 1766 O ARG A 112 -9.937 2.158 -5.785 1.00 1.79 O ATOM 1767 CB ARG A 112 -8.012 0.948 -7.403 1.00 2.63 C ATOM 1768 CG ARG A 112 -6.801 0.552 -8.230 1.00 3.07 C ATOM 1769 CD ARG A 112 -6.448 -0.919 -8.094 1.00 4.09 C ATOM 1770 NE ARG A 112 -7.621 -1.778 -8.220 1.00 4.81 N ATOM 1771 CZ ARG A 112 -8.226 -2.046 -9.370 1.00 5.78 C ATOM 1772 NH1 ARG A 112 -7.781 -1.509 -10.502 1.00 6.20 N ATOM 1773 NH2 ARG A 112 -9.282 -2.847 -9.390 1.00 6.59 N ATOM 0 H ARG A 112 -7.134 3.510 -6.190 1.00 0.95 H new ATOM 0 HA ARG A 112 -8.564 2.658 -8.591 1.00 1.36 H new ATOM 0 HB2 ARG A 112 -7.822 0.722 -6.354 1.00 2.63 H new ATOM 0 HB3 ARG A 112 -8.869 0.348 -7.708 1.00 2.63 H new ATOM 0 HG2 ARG A 112 -6.993 0.779 -9.279 1.00 3.07 H new ATOM 0 HG3 ARG A 112 -5.946 1.155 -7.925 1.00 3.07 H new ATOM 0 HD2 ARG A 112 -5.718 -1.188 -8.857 1.00 4.09 H new ATOM 0 HD3 ARG A 112 -5.976 -1.090 -7.127 1.00 4.09 H new ATOM 0 HE ARG A 112 -7.999 -2.199 -7.371 1.00 4.81 H new ATOM 0 HH11 ARG A 112 -6.972 -0.888 -10.488 1.00 6.20 H new ATOM 0 HH12 ARG A 112 -8.249 -1.718 -11.384 1.00 6.20 H new ATOM 0 HH21 ARG A 112 -9.628 -3.256 -8.522 1.00 6.59 H new ATOM 0 HH22 ARG A 112 -9.748 -3.054 -10.273 1.00 6.59 H new ATOM 1787 N GLY A 113 -10.423 3.700 -7.308 1.00 0.81 N ATOM 1788 CA GLY A 113 -11.799 3.811 -6.858 1.00 0.76 C ATOM 1789 C GLY A 113 -12.767 3.011 -7.711 1.00 0.77 C ATOM 1790 O GLY A 113 -13.262 1.976 -7.285 1.00 0.80 O ATOM 0 H GLY A 113 -10.140 4.375 -8.018 1.00 0.81 H new ATOM 0 HA2 GLY A 113 -11.866 3.470 -5.825 1.00 0.76 H new ATOM 0 HA3 GLY A 113 -12.095 4.860 -6.868 1.00 0.76 H new ATOM 1794 N PRO A 114 -13.045 3.456 -8.944 1.00 0.90 N ATOM 1795 CA PRO A 114 -14.050 2.819 -9.806 1.00 1.07 C ATOM 1796 C PRO A 114 -13.788 1.334 -10.089 1.00 0.90 C ATOM 1797 O PRO A 114 -14.720 0.596 -10.402 1.00 1.05 O ATOM 1798 CB PRO A 114 -13.971 3.627 -11.104 1.00 1.40 C ATOM 1799 CG PRO A 114 -13.391 4.938 -10.703 1.00 1.38 C ATOM 1800 CD PRO A 114 -12.434 4.631 -9.589 1.00 1.03 C ATOM 0 HA PRO A 114 -15.028 2.826 -9.325 1.00 1.07 H new ATOM 0 HB2 PRO A 114 -13.345 3.127 -11.843 1.00 1.40 H new ATOM 0 HB3 PRO A 114 -14.957 3.751 -11.553 1.00 1.40 H new ATOM 0 HG2 PRO A 114 -12.879 5.413 -11.540 1.00 1.38 H new ATOM 0 HG3 PRO A 114 -14.169 5.627 -10.373 1.00 1.38 H new ATOM 0 HD2 PRO A 114 -11.434 4.412 -9.964 1.00 1.03 H new ATOM 0 HD3 PRO A 114 -12.338 5.468 -8.897 1.00 1.03 H new ATOM 1808 N ARG A 115 -12.535 0.885 -9.986 1.00 0.72 N ATOM 1809 CA ARG A 115 -12.202 -0.472 -10.332 1.00 0.74 C ATOM 1810 C ARG A 115 -12.066 -1.356 -9.088 1.00 0.69 C ATOM 1811 O ARG A 115 -12.036 -2.581 -9.219 1.00 0.86 O ATOM 1812 CB ARG A 115 -10.908 -0.505 -11.154 1.00 0.96 C ATOM 1813 CG ARG A 115 -11.044 -0.035 -12.606 1.00 1.39 C ATOM 1814 CD ARG A 115 -11.435 1.432 -12.719 1.00 1.63 C ATOM 1815 NE ARG A 115 -11.148 1.984 -14.044 1.00 1.81 N ATOM 1816 CZ ARG A 115 -11.895 2.907 -14.658 1.00 2.32 C ATOM 1817 NH1 ARG A 115 -13.075 3.269 -14.169 1.00 2.92 N ATOM 1818 NH2 ARG A 115 -11.478 3.427 -15.798 1.00 2.62 N ATOM 0 H ARG A 115 -11.747 1.449 -9.666 1.00 0.72 H new ATOM 0 HA ARG A 115 -13.018 -0.873 -10.933 1.00 0.74 H new ATOM 0 HB2 ARG A 115 -10.164 0.117 -10.656 1.00 0.96 H new ATOM 0 HB3 ARG A 115 -10.522 -1.525 -11.154 1.00 0.96 H new ATOM 0 HG2 ARG A 115 -10.099 -0.195 -13.125 1.00 1.39 H new ATOM 0 HG3 ARG A 115 -11.792 -0.645 -13.112 1.00 1.39 H new ATOM 0 HD2 ARG A 115 -12.499 1.539 -12.506 1.00 1.63 H new ATOM 0 HD3 ARG A 115 -10.899 2.008 -11.964 1.00 1.63 H new ATOM 0 HE ARG A 115 -10.321 1.641 -14.532 1.00 1.81 H new ATOM 0 HH11 ARG A 115 -13.425 2.841 -13.312 1.00 2.92 H new ATOM 0 HH12 ARG A 115 -13.632 3.975 -14.651 1.00 2.92 H new ATOM 0 HH21 ARG A 115 -10.592 3.124 -16.203 1.00 2.62 H new ATOM 0 HH22 ARG A 115 -12.042 4.132 -16.273 1.00 2.62 H new ATOM 1832 N THR A 116 -11.956 -0.763 -7.886 1.00 0.61 N ATOM 1833 CA THR A 116 -11.867 -1.571 -6.674 1.00 0.75 C ATOM 1834 C THR A 116 -13.153 -2.336 -6.405 1.00 0.85 C ATOM 1835 O THR A 116 -14.157 -1.800 -5.949 1.00 1.23 O ATOM 1836 CB THR A 116 -11.443 -0.766 -5.449 1.00 0.93 C ATOM 1837 OG1 THR A 116 -11.991 0.547 -5.497 1.00 0.93 O ATOM 1838 CG2 THR A 116 -9.928 -0.720 -5.378 1.00 1.13 C ATOM 0 H THR A 116 -11.928 0.246 -7.737 1.00 0.61 H new ATOM 0 HA THR A 116 -11.076 -2.298 -6.862 1.00 0.75 H new ATOM 0 HB THR A 116 -11.825 -1.250 -4.550 1.00 0.93 H new ATOM 0 HG1 THR A 116 -11.267 1.201 -5.588 1.00 0.93 H new ATOM 0 HG21 THR A 116 -9.622 -0.145 -4.504 1.00 1.13 H new ATOM 0 HG22 THR A 116 -9.536 -1.734 -5.301 1.00 1.13 H new ATOM 0 HG23 THR A 116 -9.536 -0.247 -6.278 1.00 1.13 H new ATOM 1846 N HIS A 117 -13.021 -3.613 -6.669 1.00 0.70 N ATOM 1847 CA HIS A 117 -14.065 -4.615 -6.804 1.00 0.77 C ATOM 1848 C HIS A 117 -13.321 -5.670 -7.571 1.00 0.68 C ATOM 1849 O HIS A 117 -12.136 -5.441 -7.874 1.00 0.61 O ATOM 1850 CB HIS A 117 -15.292 -4.149 -7.619 1.00 0.89 C ATOM 1851 CG HIS A 117 -16.320 -3.382 -6.838 1.00 1.23 C ATOM 1852 ND1 HIS A 117 -16.904 -3.862 -5.686 1.00 1.92 N ATOM 1853 CD2 HIS A 117 -16.859 -2.157 -7.047 1.00 2.10 C ATOM 1854 CE1 HIS A 117 -17.756 -2.966 -5.220 1.00 2.75 C ATOM 1855 NE2 HIS A 117 -17.747 -1.922 -6.027 1.00 2.85 N ATOM 0 H HIS A 117 -12.097 -4.021 -6.809 1.00 0.70 H new ATOM 0 HA HIS A 117 -14.491 -4.908 -5.844 1.00 0.77 H new ATOM 0 HB2 HIS A 117 -14.946 -3.526 -8.444 1.00 0.89 H new ATOM 0 HB3 HIS A 117 -15.770 -5.024 -8.059 1.00 0.89 H new ATOM 0 HD2 HIS A 117 -16.632 -1.489 -7.865 1.00 2.10 H new ATOM 0 HE1 HIS A 117 -18.358 -3.070 -4.329 1.00 2.75 H new ATOM 0 HE2 HIS A 117 -18.308 -1.078 -5.912 1.00 2.85 H new ATOM 1864 N TYR A 118 -13.889 -6.788 -7.950 1.00 0.73 N ATOM 1865 CA TYR A 118 -13.073 -7.588 -8.816 1.00 0.69 C ATOM 1866 C TYR A 118 -13.290 -7.078 -10.228 1.00 0.68 C ATOM 1867 O TYR A 118 -14.077 -7.585 -11.024 1.00 0.77 O ATOM 1868 CB TYR A 118 -13.345 -9.096 -8.666 1.00 0.78 C ATOM 1869 CG TYR A 118 -14.794 -9.530 -8.785 1.00 1.42 C ATOM 1870 CD1 TYR A 118 -15.720 -9.233 -7.791 1.00 2.33 C ATOM 1871 CD2 TYR A 118 -15.220 -10.275 -9.877 1.00 1.90 C ATOM 1872 CE1 TYR A 118 -17.028 -9.662 -7.889 1.00 3.13 C ATOM 1873 CE2 TYR A 118 -16.529 -10.701 -9.982 1.00 2.72 C ATOM 1874 CZ TYR A 118 -17.427 -10.397 -8.984 1.00 3.19 C ATOM 1875 OH TYR A 118 -18.729 -10.834 -9.083 1.00 4.11 O ATOM 0 H TYR A 118 -14.815 -7.137 -7.704 1.00 0.73 H new ATOM 0 HA TYR A 118 -12.022 -7.487 -8.545 1.00 0.69 H new ATOM 0 HB2 TYR A 118 -12.765 -9.626 -9.422 1.00 0.78 H new ATOM 0 HB3 TYR A 118 -12.970 -9.417 -7.694 1.00 0.78 H new ATOM 0 HD1 TYR A 118 -15.411 -8.659 -6.930 1.00 2.33 H new ATOM 0 HD2 TYR A 118 -14.516 -10.525 -10.657 1.00 1.90 H new ATOM 0 HE1 TYR A 118 -17.737 -9.422 -7.110 1.00 3.13 H new ATOM 0 HE2 TYR A 118 -16.847 -11.270 -10.843 1.00 2.72 H new ATOM 0 HH TYR A 118 -18.843 -11.337 -9.917 1.00 4.11 H new ATOM 1885 N GLY A 119 -12.541 -6.008 -10.468 1.00 0.62 N ATOM 1886 CA GLY A 119 -12.350 -5.419 -11.762 1.00 0.65 C ATOM 1887 C GLY A 119 -10.956 -5.716 -12.234 1.00 0.65 C ATOM 1888 O GLY A 119 -10.724 -6.103 -13.378 1.00 0.73 O ATOM 0 H GLY A 119 -12.036 -5.518 -9.729 1.00 0.62 H new ATOM 0 HA2 GLY A 119 -13.079 -5.817 -12.468 1.00 0.65 H new ATOM 0 HA3 GLY A 119 -12.509 -4.342 -11.712 1.00 0.65 H new ATOM 1892 N GLN A 120 -10.030 -5.555 -11.290 1.00 0.60 N ATOM 1893 CA GLN A 120 -8.605 -5.676 -11.555 1.00 0.64 C ATOM 1894 C GLN A 120 -7.914 -6.368 -10.387 1.00 0.62 C ATOM 1895 O GLN A 120 -8.227 -6.095 -9.227 1.00 0.56 O ATOM 1896 CB GLN A 120 -7.970 -4.295 -11.766 1.00 0.67 C ATOM 1897 CG GLN A 120 -7.831 -3.884 -13.225 1.00 1.05 C ATOM 1898 CD GLN A 120 -9.135 -3.405 -13.822 1.00 1.50 C ATOM 1899 OE1 GLN A 120 -9.979 -2.853 -13.120 1.00 2.19 O ATOM 1900 NE2 GLN A 120 -9.305 -3.610 -15.116 1.00 2.13 N ATOM 0 H GLN A 120 -10.252 -5.336 -10.319 1.00 0.60 H new ATOM 0 HA GLN A 120 -8.479 -6.267 -12.462 1.00 0.64 H new ATOM 0 HB2 GLN A 120 -8.571 -3.549 -11.247 1.00 0.67 H new ATOM 0 HB3 GLN A 120 -6.983 -4.288 -11.303 1.00 0.67 H new ATOM 0 HG2 GLN A 120 -7.086 -3.092 -13.306 1.00 1.05 H new ATOM 0 HG3 GLN A 120 -7.460 -4.730 -13.803 1.00 1.05 H new ATOM 0 HE21 GLN A 120 -8.576 -4.073 -15.659 1.00 2.13 H new ATOM 0 HE22 GLN A 120 -10.165 -3.305 -15.572 1.00 2.13 H new ATOM 1909 N LYS A 121 -6.951 -7.229 -10.696 1.00 0.75 N ATOM 1910 CA LYS A 121 -6.238 -7.986 -9.670 1.00 0.78 C ATOM 1911 C LYS A 121 -5.099 -7.170 -9.080 1.00 0.70 C ATOM 1912 O LYS A 121 -4.259 -7.693 -8.352 1.00 0.75 O ATOM 1913 CB LYS A 121 -5.711 -9.311 -10.227 1.00 1.06 C ATOM 1914 CG LYS A 121 -6.810 -10.197 -10.796 1.00 1.43 C ATOM 1915 CD LYS A 121 -6.427 -11.670 -10.773 1.00 1.94 C ATOM 1916 CE LYS A 121 -5.177 -11.953 -11.587 1.00 2.28 C ATOM 1917 NZ LYS A 121 -4.827 -13.396 -11.571 1.00 2.85 N ATOM 0 H LYS A 121 -6.645 -7.421 -11.650 1.00 0.75 H new ATOM 0 HA LYS A 121 -6.949 -8.208 -8.874 1.00 0.78 H new ATOM 0 HB2 LYS A 121 -4.978 -9.105 -11.007 1.00 1.06 H new ATOM 0 HB3 LYS A 121 -5.191 -9.850 -9.435 1.00 1.06 H new ATOM 0 HG2 LYS A 121 -7.725 -10.052 -10.222 1.00 1.43 H new ATOM 0 HG3 LYS A 121 -7.025 -9.895 -11.821 1.00 1.43 H new ATOM 0 HD2 LYS A 121 -6.266 -11.985 -9.742 1.00 1.94 H new ATOM 0 HD3 LYS A 121 -7.254 -12.264 -11.162 1.00 1.94 H new ATOM 0 HE2 LYS A 121 -5.331 -11.627 -12.616 1.00 2.28 H new ATOM 0 HE3 LYS A 121 -4.345 -11.372 -11.190 1.00 2.28 H new ATOM 0 HZ1 LYS A 121 -3.968 -13.551 -12.137 1.00 2.85 H new ATOM 0 HZ2 LYS A 121 -4.656 -13.701 -10.592 1.00 2.85 H new ATOM 0 HZ3 LYS A 121 -5.611 -13.948 -11.973 1.00 2.85 H new ATOM 1931 N ALA A 122 -5.082 -5.881 -9.389 1.00 0.67 N ATOM 1932 CA ALA A 122 -4.167 -4.948 -8.750 1.00 0.72 C ATOM 1933 C ALA A 122 -4.621 -4.672 -7.318 1.00 0.54 C ATOM 1934 O ALA A 122 -4.056 -3.837 -6.617 1.00 0.59 O ATOM 1935 CB ALA A 122 -4.076 -3.663 -9.553 1.00 0.92 C ATOM 0 H ALA A 122 -5.696 -5.456 -10.083 1.00 0.67 H new ATOM 0 HA ALA A 122 -3.172 -5.391 -8.715 1.00 0.72 H new ATOM 0 HB1 ALA A 122 -3.388 -2.975 -9.062 1.00 0.92 H new ATOM 0 HB2 ALA A 122 -3.712 -3.886 -10.556 1.00 0.92 H new ATOM 0 HB3 ALA A 122 -5.063 -3.204 -9.618 1.00 0.92 H new ATOM 1941 N ILE A 123 -5.691 -5.348 -6.916 1.00 0.44 N ATOM 1942 CA ILE A 123 -6.118 -5.356 -5.526 1.00 0.44 C ATOM 1943 C ILE A 123 -5.444 -6.525 -4.799 1.00 0.40 C ATOM 1944 O ILE A 123 -5.642 -6.746 -3.606 1.00 0.49 O ATOM 1945 CB ILE A 123 -7.656 -5.467 -5.427 1.00 0.54 C ATOM 1946 CG1 ILE A 123 -8.304 -4.378 -6.278 1.00 0.83 C ATOM 1947 CG2 ILE A 123 -8.127 -5.349 -3.981 1.00 0.83 C ATOM 1948 CD1 ILE A 123 -9.812 -4.393 -6.224 1.00 1.37 C ATOM 0 H ILE A 123 -6.280 -5.900 -7.539 1.00 0.44 H new ATOM 0 HA ILE A 123 -5.822 -4.419 -5.054 1.00 0.44 H new ATOM 0 HB ILE A 123 -7.954 -6.448 -5.798 1.00 0.54 H new ATOM 0 HG12 ILE A 123 -7.946 -3.404 -5.944 1.00 0.83 H new ATOM 0 HG13 ILE A 123 -7.984 -4.497 -7.313 1.00 0.83 H new ATOM 0 HG21 ILE A 123 -9.213 -5.431 -3.944 1.00 0.83 H new ATOM 0 HG22 ILE A 123 -7.683 -6.148 -3.387 1.00 0.83 H new ATOM 0 HG23 ILE A 123 -7.822 -4.384 -3.577 1.00 0.83 H new ATOM 0 HD11 ILE A 123 -10.207 -3.593 -6.851 1.00 1.37 H new ATOM 0 HD12 ILE A 123 -10.180 -5.353 -6.586 1.00 1.37 H new ATOM 0 HD13 ILE A 123 -10.141 -4.243 -5.196 1.00 1.37 H new ATOM 1960 N LEU A 124 -4.628 -7.267 -5.533 1.00 0.38 N ATOM 1961 CA LEU A 124 -3.837 -8.330 -4.938 1.00 0.43 C ATOM 1962 C LEU A 124 -2.428 -7.829 -4.652 1.00 0.37 C ATOM 1963 O LEU A 124 -1.626 -7.621 -5.577 1.00 0.46 O ATOM 1964 CB LEU A 124 -3.788 -9.558 -5.853 1.00 0.63 C ATOM 1965 CG LEU A 124 -5.134 -10.240 -6.109 1.00 1.21 C ATOM 1966 CD1 LEU A 124 -4.958 -11.433 -7.036 1.00 1.77 C ATOM 1967 CD2 LEU A 124 -5.773 -10.671 -4.796 1.00 1.83 C ATOM 0 H LEU A 124 -4.498 -7.152 -6.538 1.00 0.38 H new ATOM 0 HA LEU A 124 -4.309 -8.627 -4.001 1.00 0.43 H new ATOM 0 HB2 LEU A 124 -3.363 -9.259 -6.811 1.00 0.63 H new ATOM 0 HB3 LEU A 124 -3.107 -10.288 -5.416 1.00 0.63 H new ATOM 0 HG LEU A 124 -5.797 -9.523 -6.593 1.00 1.21 H new ATOM 0 HD11 LEU A 124 -5.925 -11.906 -7.207 1.00 1.77 H new ATOM 0 HD12 LEU A 124 -4.545 -11.097 -7.987 1.00 1.77 H new ATOM 0 HD13 LEU A 124 -4.278 -12.152 -6.579 1.00 1.77 H new ATOM 0 HD21 LEU A 124 -6.729 -11.154 -4.998 1.00 1.83 H new ATOM 0 HD22 LEU A 124 -5.114 -11.371 -4.283 1.00 1.83 H new ATOM 0 HD23 LEU A 124 -5.934 -9.797 -4.166 1.00 1.83 H new ATOM 1979 N PHE A 125 -2.145 -7.600 -3.374 1.00 0.37 N ATOM 1980 CA PHE A 125 -0.825 -7.147 -2.954 1.00 0.45 C ATOM 1981 C PHE A 125 -0.245 -8.069 -1.885 1.00 0.36 C ATOM 1982 O PHE A 125 -0.962 -8.844 -1.254 1.00 0.51 O ATOM 1983 CB PHE A 125 -0.856 -5.710 -2.414 1.00 0.81 C ATOM 1984 CG PHE A 125 -2.171 -5.001 -2.544 1.00 0.60 C ATOM 1985 CD1 PHE A 125 -3.206 -5.286 -1.673 1.00 1.05 C ATOM 1986 CD2 PHE A 125 -2.380 -4.067 -3.545 1.00 1.00 C ATOM 1987 CE1 PHE A 125 -4.424 -4.657 -1.797 1.00 1.18 C ATOM 1988 CE2 PHE A 125 -3.597 -3.431 -3.671 1.00 1.05 C ATOM 1989 CZ PHE A 125 -4.584 -3.654 -2.773 1.00 0.85 C ATOM 0 H PHE A 125 -2.812 -7.721 -2.612 1.00 0.37 H new ATOM 0 HA PHE A 125 -0.191 -7.171 -3.841 1.00 0.45 H new ATOM 0 HB2 PHE A 125 -0.576 -5.730 -1.361 1.00 0.81 H new ATOM 0 HB3 PHE A 125 -0.096 -5.128 -2.935 1.00 0.81 H new ATOM 0 HD1 PHE A 125 -3.057 -6.011 -0.886 1.00 1.05 H new ATOM 0 HD2 PHE A 125 -1.582 -3.834 -4.234 1.00 1.00 H new ATOM 0 HE1 PHE A 125 -5.247 -4.929 -1.153 1.00 1.18 H new ATOM 0 HE2 PHE A 125 -3.763 -2.750 -4.492 1.00 1.05 H new ATOM 0 HZ PHE A 125 -5.490 -3.066 -2.804 1.00 0.85 H new ATOM 1999 N LEU A 126 1.066 -8.005 -1.719 1.00 0.36 N ATOM 2000 CA LEU A 126 1.759 -8.721 -0.673 1.00 0.49 C ATOM 2001 C LEU A 126 2.624 -7.730 0.089 1.00 0.48 C ATOM 2002 O LEU A 126 3.194 -6.810 -0.504 1.00 0.49 O ATOM 2003 CB LEU A 126 2.639 -9.852 -1.237 1.00 0.68 C ATOM 2004 CG LEU A 126 1.897 -11.076 -1.795 1.00 1.22 C ATOM 2005 CD1 LEU A 126 1.289 -10.786 -3.159 1.00 1.98 C ATOM 2006 CD2 LEU A 126 2.836 -12.269 -1.877 1.00 1.96 C ATOM 0 H LEU A 126 1.680 -7.449 -2.314 1.00 0.36 H new ATOM 0 HA LEU A 126 1.022 -9.182 -0.016 1.00 0.49 H new ATOM 0 HB2 LEU A 126 3.262 -9.438 -2.030 1.00 0.68 H new ATOM 0 HB3 LEU A 126 3.311 -10.189 -0.448 1.00 0.68 H new ATOM 0 HG LEU A 126 1.081 -11.312 -1.112 1.00 1.22 H new ATOM 0 HD11 LEU A 126 0.772 -11.674 -3.523 1.00 1.98 H new ATOM 0 HD12 LEU A 126 0.580 -9.963 -3.074 1.00 1.98 H new ATOM 0 HD13 LEU A 126 2.079 -10.513 -3.859 1.00 1.98 H new ATOM 0 HD21 LEU A 126 2.297 -13.129 -2.274 1.00 1.96 H new ATOM 0 HD22 LEU A 126 3.672 -12.030 -2.534 1.00 1.96 H new ATOM 0 HD23 LEU A 126 3.213 -12.505 -0.882 1.00 1.96 H new ATOM 2018 N PRO A 127 2.723 -7.873 1.406 1.00 0.54 N ATOM 2019 CA PRO A 127 3.541 -7.011 2.218 1.00 0.55 C ATOM 2020 C PRO A 127 4.836 -7.704 2.622 1.00 0.53 C ATOM 2021 O PRO A 127 4.845 -8.619 3.449 1.00 0.66 O ATOM 2022 CB PRO A 127 2.636 -6.792 3.434 1.00 0.72 C ATOM 2023 CG PRO A 127 1.765 -8.020 3.514 1.00 0.81 C ATOM 2024 CD PRO A 127 1.983 -8.815 2.243 1.00 0.68 C ATOM 0 HA PRO A 127 3.852 -6.093 1.719 1.00 0.55 H new ATOM 0 HB2 PRO A 127 3.224 -6.668 4.343 1.00 0.72 H new ATOM 0 HB3 PRO A 127 2.034 -5.891 3.318 1.00 0.72 H new ATOM 0 HG2 PRO A 127 2.023 -8.617 4.389 1.00 0.81 H new ATOM 0 HG3 PRO A 127 0.716 -7.741 3.617 1.00 0.81 H new ATOM 0 HD2 PRO A 127 2.550 -9.727 2.427 1.00 0.68 H new ATOM 0 HD3 PRO A 127 1.041 -9.113 1.784 1.00 0.68 H new ATOM 2032 N LEU A 128 5.927 -7.272 2.014 1.00 0.44 N ATOM 2033 CA LEU A 128 7.210 -7.920 2.217 1.00 0.46 C ATOM 2034 C LEU A 128 8.219 -6.902 2.701 1.00 0.39 C ATOM 2035 O LEU A 128 8.588 -6.009 1.959 1.00 0.39 O ATOM 2036 CB LEU A 128 7.695 -8.560 0.910 1.00 0.56 C ATOM 2037 CG LEU A 128 6.749 -9.592 0.290 1.00 0.98 C ATOM 2038 CD1 LEU A 128 7.293 -10.078 -1.045 1.00 1.34 C ATOM 2039 CD2 LEU A 128 6.533 -10.763 1.239 1.00 1.47 C ATOM 0 H LEU A 128 5.950 -6.476 1.376 1.00 0.44 H new ATOM 0 HA LEU A 128 7.099 -8.703 2.967 1.00 0.46 H new ATOM 0 HB2 LEU A 128 7.869 -7.768 0.181 1.00 0.56 H new ATOM 0 HB3 LEU A 128 8.656 -9.039 1.096 1.00 0.56 H new ATOM 0 HG LEU A 128 5.786 -9.113 0.116 1.00 0.98 H new ATOM 0 HD11 LEU A 128 6.608 -10.811 -1.472 1.00 1.34 H new ATOM 0 HD12 LEU A 128 7.392 -9.233 -1.727 1.00 1.34 H new ATOM 0 HD13 LEU A 128 8.269 -10.538 -0.894 1.00 1.34 H new ATOM 0 HD21 LEU A 128 5.858 -11.484 0.779 1.00 1.47 H new ATOM 0 HD22 LEU A 128 7.489 -11.243 1.448 1.00 1.47 H new ATOM 0 HD23 LEU A 128 6.097 -10.401 2.170 1.00 1.47 H new ATOM 2051 N PRO A 129 8.672 -7.005 3.947 1.00 0.41 N ATOM 2052 CA PRO A 129 9.609 -6.047 4.512 1.00 0.40 C ATOM 2053 C PRO A 129 11.044 -6.379 4.121 1.00 0.48 C ATOM 2054 O PRO A 129 11.323 -7.489 3.661 1.00 0.55 O ATOM 2055 CB PRO A 129 9.394 -6.185 6.027 1.00 0.48 C ATOM 2056 CG PRO A 129 8.372 -7.269 6.215 1.00 0.68 C ATOM 2057 CD PRO A 129 8.297 -8.026 4.919 1.00 0.53 C ATOM 0 HA PRO A 129 9.444 -5.031 4.154 1.00 0.40 H new ATOM 0 HB2 PRO A 129 10.327 -6.440 6.530 1.00 0.48 H new ATOM 0 HB3 PRO A 129 9.047 -5.245 6.457 1.00 0.48 H new ATOM 0 HG2 PRO A 129 8.657 -7.931 7.033 1.00 0.68 H new ATOM 0 HG3 PRO A 129 7.401 -6.845 6.471 1.00 0.68 H new ATOM 0 HD2 PRO A 129 8.980 -8.875 4.903 1.00 0.53 H new ATOM 0 HD3 PRO A 129 7.297 -8.418 4.733 1.00 0.53 H new ATOM 2065 N VAL A 130 11.944 -5.413 4.297 1.00 0.56 N ATOM 2066 CA VAL A 130 13.315 -5.544 3.804 1.00 0.76 C ATOM 2067 C VAL A 130 14.009 -6.793 4.342 1.00 0.97 C ATOM 2068 O VAL A 130 13.920 -7.133 5.522 1.00 1.03 O ATOM 2069 CB VAL A 130 14.152 -4.279 4.099 1.00 0.93 C ATOM 2070 CG1 VAL A 130 13.859 -3.742 5.487 1.00 1.43 C ATOM 2071 CG2 VAL A 130 15.643 -4.538 3.941 1.00 1.36 C ATOM 0 H VAL A 130 11.750 -4.533 4.776 1.00 0.56 H new ATOM 0 HA VAL A 130 13.243 -5.655 2.722 1.00 0.76 H new ATOM 0 HB VAL A 130 13.862 -3.528 3.365 1.00 0.93 H new ATOM 0 HG11 VAL A 130 14.462 -2.852 5.668 1.00 1.43 H new ATOM 0 HG12 VAL A 130 12.802 -3.486 5.562 1.00 1.43 H new ATOM 0 HG13 VAL A 130 14.102 -4.502 6.230 1.00 1.43 H new ATOM 0 HG21 VAL A 130 16.196 -3.624 4.157 1.00 1.36 H new ATOM 0 HG22 VAL A 130 15.952 -5.321 4.633 1.00 1.36 H new ATOM 0 HG23 VAL A 130 15.851 -4.855 2.919 1.00 1.36 H new